3-(Bromomethyl)pyridine-2-carbonitrile - CAS 116986-13-1

Catalog:	BB003827
Product Name:	3-(Bromomethyl)pyridine-2-carbonitrile
CAS:	116986-13-1
Synonyms:	3-(bromomethyl)-2-pyridinecarbonitrile; 3-(bromomethyl)pyridine-2-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(bromomethyl)pyridine-2-carbonitrile
Description:	3-(Bromomethyl)pyridine-2-carbonitrile (CAS# 116986-13-1) is a useful research chemical compound.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC(=C(N=C1)C#N)CBr
InChI:	InChI=1S/C7H5BrN2/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4H2
InChI Key:	BSSLVCQAYWTRRC-UHFFFAOYSA-N
Boiling Point:	308.2 °C at 760 mmHg
Density:	1.6 g/cm³
Appearance:	Pale brown solid
MDL:	MFCD09030110
LogP:	1.84818

Publication Number	Title	Priority Date
CN-113164458-A	Monoacylglycerol lipase modulators	20180928
US-10344026-B2	Compositions and methods of targeting mutant K-ras	20170118
US-2018201610-A1	Compositions and methods of targeting mutant k-ras	20170118
EP-3555082-A1	Ether linked triazoles as nrf2 regulators	20161215
JP-2020502152-A	Ether-linked triazoles as NRF2 activators	20161215

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[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
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5