[ CAS No. 122851-69-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

2D 3D

Structure of 122851-69-8 * Storage: {[proInfo.prStorage]}

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}	Login		Inquiry

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 122851-69-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 122851-69-8 ]

SDS Specification

Alternatived Products of [ 122851-69-8 ]

Product Details of [ 122851-69-8 ]

CAS No. :	122851-69-8	MDL No. :	MFCD13189055
Formula :	C₆H₅BrClN	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FGRPSQGAABFCHF-UHFFFAOYSA-N
M.W :	206.47	Pubchem ID :	14273133
Synonyms :

Calculated chemistry of [ 122851-69-8 ] Expand+

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.17
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	41.7
TPSA :	12.89 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.16 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.92
Log Po/w (XLOGP3) :	1.97
Log Po/w (WLOGP) :	2.43
Log Po/w (MLOGP) :	1.91
Log Po/w (SILICOS-IT) :	3.01
Consensus Log Po/w :	2.25

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.79
Solubility :	0.336 mg/ml ; 0.00163 mol/l
Class :	Soluble
Log S (Ali) :	-1.87
Solubility :	2.81 mg/ml ; 0.0136 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.9
Solubility :	0.0258 mg/ml ; 0.000125 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.59

Safety of [ 122851-69-8 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501	UN#:	3261
Hazard Statements:	H314	Packing Group:	Ⅱ
GHS Pictogram:

Recommend Products

Same Skeleton Products

Related Products

Isomers

Technical Information

? Alkyl Halide Occurrence ? General Reactivity ? Grignard Reaction ? Hiyama Cross-Coupling Reaction ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Preparation of Amines ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Dihalides ? Stille Coupling ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling

Historical Records

Related Functional Groups of
[ 122851-69-8 ]

Bromides

[ 38749-79-0 ]

3-Bromo-2-methylpyridine

Similarity: 0.82

[ 754131-60-7 ]

3-Bromo-2-(bromomethyl)pyridine

Similarity: 0.79

[ 27063-93-0 ]

3-Bromo-2,4-dimethylpyridine

Similarity: 0.76

[ 38749-81-4 ]

3-Bromo-2-ethylpyridine

Similarity: 0.75

[ 3430-31-7 ]

3-Bromo-2,6-dimethylpyridine

Similarity: 0.74

Chlorides

[ 132606-40-7 ]

5-Bromo-2-chloro-6-methylpyridine

Similarity: 0.73

[ 6959-47-3 ]

2-(Chloromethyl)pyridine hydrochloride

Similarity: 0.73

[ 168823-76-5 ]

5-Bromo-2-(chloromethyl)pyridine

Similarity: 0.72

[ 936342-91-5 ]

5-Bromo-2-(chloromethyl)pyridine hydrochloride

Similarity: 0.72

[ 760207-83-8 ]

3-Bromo-5-chloropicolinonitrile

Similarity: 0.69

Related Parent Nucleus of
[ 122851-69-8 ]

Pyridines