6-Chloropyrazine-2-carboxylic Acid - CAS 23688-89-3

Catalog:	BB018145
Product Name:	6-Chloropyrazine-2-carboxylic Acid
CAS:	23688-89-3
Synonyms:	6-chloro-2-pyrazinecarboxylic acid; 6-chloropyrazine-2-carboxylic acid

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Computed Properties

IUPAC Name:	6-chloropyrazine-2-carboxylic acid
Description:	6-Chloropyrazine-2-carboxylic Acid (CAS# 23688-89-3) is a useful research chemical.
Molecular Weight:	158.54
Molecular Formula:	C5H3ClN2O2
Canonical SMILES:	C1=C(N=C(C=N1)Cl)C(=O)O
InChI:	InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10)
InChI Key:	KGGYMBKTQCLOTE-UHFFFAOYSA-N
Boiling Point:	323.646 °C at 760 mmHg
Density:	1.58 g/cm³
Appearance:	White-greyish yellow powder
MDL:	MFCD00837871
LogP:	0.82820

Publication Number	Title	Priority Date
WO-2021175200-A1	Ferroptosis inhibitorsâ€"diarylamine para-acetamides	20200302
WO-2021099518-A1	Novel compounds for the diagnosis, treatment and prevention of diseases associated with the aggregation of alpha-synuclein	20191119
WO-2020223590-A1	Modulators of trex1	20190502
CN-108892646-A	Chloro- 2- pyrazinamide class compound of a kind of 6- containing diphenyl ether base and the preparation method and application thereof	20180803
CN-108997228-A	The preparation method and application of 6- chloropyrazine -2- amides compound containing diphenyl ether base	20180730

PMID	Publication Date	Title	Journal
17962755	20060329	Substituted pyrazinecarboxamides: synthesis and biological evaluation	Molecules (Basel, Switzerland)

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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+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:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.9883050
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.9883050
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9