2-Bromo-6-(cyanomethyl)pyridine - CAS 112575-11-8

Catalog:	BB002998
Product Name:	2-Bromo-6-(cyanomethyl)pyridine
CAS:	112575-11-8
Synonyms:	2-(6-bromo-2-pyridinyl)acetonitrile; 2-(6-bromopyridin-2-yl)acetonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(6-bromopyridin-2-yl)acetonitrile
Description:	2-Bromo-6-(cyanomethyl)pyridine (CAS# 112575-11-8) is a useful research chemical.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC(=NC(=C1)Br)CC#N
InChI:	InChI=1S/C7H5BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2
InChI Key:	WUYNZPVTHRDYDT-UHFFFAOYSA-N
Boiling Point:	305.7 °C at 760 mmHg
Density:	1.575 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.91018

Publication Number	Title	Priority Date
US-2020325142-A1	Heterocyclic compounds and uses thereof	20190409
WO-2020210375-A1	Heterocyclic compounds and uses thereof	20190409
WO-2019134539-A1	Dihydropyrazolone and pyrimidine compound, preparation method and use therefor	20180105
CN-111315747-A	Dihydropyrazolone pyrimidine compound and preparation method and application thereof	20180105
US-10053465-B2	Pyrrolopyrimidine derivatives as TAM inhibitors	20150826

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[7492-88-8]
3-piperidinecarbonitrile

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.96361
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.96361
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6