3-Bromo-6-methylpyridine-2-carbonitrile - CAS 717843-48-6

Catalog:	BB034475
Product Name:	3-Bromo-6-methylpyridine-2-carbonitrile
CAS:	717843-48-6
Synonyms:	3-bromo-6-methyl-2-pyridinecarbonitrile; 3-bromo-6-methylpyridine-2-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-6-methylpyridine-2-carbonitrile
Description:	3-Bromo-6-methylpyridine-2-carbonitrile (CAS# 717843-48-6) is a useful research chemical.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	CC1=NC(=C(C=C1)Br)C#N
InChI:	InChI=1S/C7H5BrN2/c1-5-2-3-6(8)7(4-9)10-5/h2-3H,1H3
InChI Key:	ARSYSTQQVJUEBW-UHFFFAOYSA-N
Boiling Point:	299.304 °C at 760 mmHg
Density:	1.613 g/cm³
Appearance:	Solid
MDL:	MFCD08059560
LogP:	2.02418

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WO-2021115286-A1	Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor	20191210
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Complexity:	160
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:	0
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2