3-Bromopyrazine-2-carbonitrile - CAS 1250022-24-2

Catalog:	BB006042
Product Name:	3-Bromopyrazine-2-carbonitrile
CAS:	1250022-24-2
Synonyms:	3-bromo-2-pyrazinecarbonitrile; 3-bromopyrazine-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	3-bromopyrazine-2-carbonitrile
Description:	3-Bromopyrazine-2-carbonitrile (CAS# 1250022-24-2 ) is a useful research chemical.
Molecular Weight:	183.99
Molecular Formula:	C5H2BrN3
Canonical SMILES:	C1=CN=C(C(=N1)C#N)Br
InChI:	InChI=1S/C5H2BrN3/c6-5-4(3-7)8-1-2-9-5/h1-2H
InChI Key:	NAPIQNUAYLKBHM-UHFFFAOYSA-N
LogP:	1.11078

Publication Number	Title	Priority Date
CA-3047287-A1	Cyclopropyl fused thiazine derivatives as beta-secretase inhibitors and methods of use	20161215
CN-107641106-A	The synthetic method of Favipiravir intermediate and Favipiravir	20160722
AU-2016351424-A1	Pyranodipyridine compound	20151113
AU-2016351424-B2	Pyranodipyridine compound	20151113
CA-3002930-A1	Pyranodipyridine compound	20151113

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Related Functional Groups

Nitrogen Compounds

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[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

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

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.94321
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.94321
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4