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2-(6-Bromo-3-pyridyl)-2-methylpropanenitrile

2-(6-Bromo-3-pyridyl)-2-methylpropanenitrile - CAS 850197-45-4

Catalog:	BB037409
Product Name:	2-(6-Bromo-3-pyridyl)-2-methylpropanenitrile
CAS:	850197-45-4
Synonyms:	2-(6-bromo-3-pyridinyl)-2-methylpropanenitrile; 2-(6-bromopyridin-3-yl)-2-methylpropanenitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(6-bromopyridin-3-yl)-2-methylpropanenitrile
Description:	2-(6-Bromo-3-pyridyl)-2-methylpropanenitrile (CAS# 850197-45-4 ) is a useful research chemical.
Molecular Weight:	225.09
Molecular Formula:	C9H9BrN2
Canonical SMILES:	CC(C)(C#N)C1=CN=C(C=C1)Br
InChI:	InChI=1S/C9H9BrN2/c1-9(2,6-11)7-3-4-8(10)12-5-7/h3-5H,1-2H3
InChI Key:	KUNYVCVRARYXOL-UHFFFAOYSA-N
LogP:	2.64528

Publication Number	Title	Priority Date
US-2018243298-A1	Trpv3 modulators	20150402
WO-2016160938-A1	N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamides as trpv3 modulators	20150402
US-10167300-B2	Metalloenzyme inhibitor compounds as fungicides	20140415
US-2015291632-A1	Metalloenzyme inhibitor compounds as fungicides	20140415
US-2018298038-A1	Metalloenzyme inhibitor compounds as fungicides	20140415

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.99491
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.99491
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5