5-Chloro-2-pyrazinecarboxylic Acid - CAS 36070-80-1

Catalog:	BB022855
Product Name:	5-Chloro-2-pyrazinecarboxylic Acid
CAS:	36070-80-1
Synonyms:	5-chloro-2-pyrazinecarboxylic acid; 5-chloropyrazine-2-carboxylic acid

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Computed Properties

IUPAC Name:	5-chloropyrazine-2-carboxylic acid
Description:	5-Chloro-2-pyrazinecarboxylic Acid (CAS# 36070-80-1) is a useful research chemical.
Molecular Weight:	158.54
Molecular Formula:	C5H3ClN2O2
Canonical SMILES:	C1=C(N=CC(=N1)Cl)C(=O)O
InChI:	InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)
InChI Key:	FXJOTWLLDJYKAG-UHFFFAOYSA-N
Boiling Point:	330.9 °C at 760 mmHg
Density:	1.579 g/cm³
MDL:	MFCD09033269
LogP:	0.82820

Publication Number	Title	Priority Date
US-2021196710-A1	Compounds and methods for the targeted degradation of androgen receptor	20191219
WO-2021127443-A1	Compounds and methods for the targeted degradation of androgen receptor	20191219
CN-111825657-A	Dual-function chimeric heterocyclic compound for targeted degradation of androgen receptor and application thereof	20190418
WO-2020211822-A1	A class of bifunctional chimeric heterocyclic compounds for targeted degradation of androgen receptors and use thereof	20190418
WO-2020166680-A1	7h-pyrrolo[2,3-d]pyrimidine-4-amine derivative	20190215

PMID	Publication Date	Title	Journal
9527809	19980201	In vitro antimycobacterial activity of 5-chloropyrazinamide	Antimicrobial agents and chemotherapy
7562923	19950929	Pyrazinoic acid esters with broad spectrum in vitro antimycobacterial activity	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:	0.1