6-Chloropyrazine-2-carboxamide - CAS 36070-79-8

Name: 6-Chloropyrazine-2-carboxamide
Brand: BOC Sciences
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Catalog:	BB022854
Product Name:	6-Chloropyrazine-2-carboxamide
CAS:	36070-79-8
Synonyms:	6-chloro-2-pyrazinecarboxamide; 6-chloropyrazine-2-carboxamide

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Computed Properties

IUPAC Name:	6-chloropyrazine-2-carboxamide
Description:	6-Chloropyrazine-2-carboxamide (CAS# 36070-79-8) is a useful research chemical.
Molecular Weight:	157.56
Molecular Formula:	C5H4ClN3O
Canonical SMILES:	C1=C(N=C(C=N1)Cl)C(=O)N
InChI:	InChI=1S/C5H4ClN3O/c6-4-2-8-1-3(9-4)5(7)10/h1-2H,(H2,7,10)
InChI Key:	JEERXOCCQAMKAF-UHFFFAOYSA-N
Boiling Point:	311.7 °C at 760 mmHg
Density:	1.478 g/cm³
Appearance:	Solid
LogP:	0.92920

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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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

Publication Number	Title	Priority Date
WO-2018081276-A1	Compounds	20161025
CN-106083745-A	The synthetic method of 6 fluorine 3 hydroxyl 2 pyrazinamide	20160815
WO-2016053855-A1	Sphingosine-1-phospate receptor modulators for treatment of cardiopulmonary disorders	20140929
US-10005785-B2	Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors	20140801
US-10519162-B2	6,7-dihydropyrazolo[1,5-Î±]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors	20140801

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.0042895
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.0042895
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3