Quinoxaline-6-carboxylic acid - CAS 6925-00-4

Catalog:	BB033750
Product Name:	Quinoxaline-6-carboxylic acid
CAS:	6925-00-4
Synonyms:	6-Quinoxalinecarboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	quinoxaline-6-carboxylic acid
Molecular Weight:	174.16
Molecular Formula:	C9H6N2O2
Canonical SMILES:	C1=CC2=NC=CN=C2C=C1C(=O)O
InChI:	InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13)
InChI Key:	JGQDBVXRYDEWGM-UHFFFAOYSA-N
Boiling Point:	355.1±27.0°C at 760 mmHg
Melting Point:	224-229°C
Purity:	95%
Density:	1.421±0.06 g/cm3
Appearance:	Tan solid
Storage:	Store at 2-8°C
MDL:	MFCD01365834
LogP:	1.32800

Publication Number	Title	Priority Date
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2021151062-A1	Heterocyclic compounds and uses thereof	20200124
WO-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
CN-110835321-A	Triketone compound containing quinoxaline structure, preparation method and application thereof	20191128
CN-110835321-B	Triketone compound containing quinoxaline structure, preparation method and application thereof	20191128

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Quinoxalines

[6627-38-9]
6,7-Dimethyl-2,3-di(2-pyridyl)quinoxaline
[70038-75-4]
9-Methyl-6H-indolo[2,3-b]quinoxaline
[36856-91-4]
2-Bromoquinoxaline
[2227206-68-8]
5-Bromo-8-chloroquinoxaline
[7251-61-8]
2-Methylquinoxaline
[7483-33-2]
2-Quinoxalinecarbonitrile

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.042927438
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1