3-Bromo-2-cyano-5-methylpyridine - CAS 474824-78-7

Catalog:	BB026315
Product Name:	3-Bromo-2-cyano-5-methylpyridine
CAS:	474824-78-7
Synonyms:	3-bromo-5-methyl-2-pyridinecarbonitrile; 3-bromo-5-methylpyridine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-5-methylpyridine-2-carbonitrile
Description:	3-Bromo-2-cyano-5-methylpyridine (CAS# 474824-78-7) is a useful research chemical.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	CC1=CC(=C(N=C1)C#N)Br
InChI:	InChI=1S/C7H5BrN2/c1-5-2-6(8)7(3-9)10-4-5/h2,4H,1H3
InChI Key:	WGKYSFRFMQHMOF-UHFFFAOYSA-N
LogP:	2.02418

Publication Number	Title	Priority Date
WO-2019081939-A1	2-AZABICYCLO [3.1.1] DERIVATIVES AS ANTAGONISTS OF OREXIN-1 AND OREXIN-2 RECEPTORS	20171025
CN-110177551-A	The heterocyclic modulators of lipid synthesis	20161111
AU-2017357329-A1	Nitrogenous macrocyclic compound, preparation method therefor, pharmaceutical composition and application thereof	20161110
CA-3045855-A1	Nitrogenous macrocyclic compound, preparation method therefor, pharmaceutical composition and application thereof	20161110
CN-108069976-A	A kind of nitrogenous macrocyclic compounds, its preparation method, pharmaceutical composition and application	20161110

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Related Functional Groups

Nitrogen Compounds

[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
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2