chempirical

6-Quinoxalinecarboxylic acid

C9H6N2O2CAS 6925-00-4174.16 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C9H6N2O2
Molar mass
174.16 g/mol
Exact mass
174.0429 Da
logP
1.33Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6925-00-4
SMILES
C1=CC2=NC=CN=C2C=C1C(=O)O
InChIKey
JGQDBVXRYDEWGM-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Quinoxaline-6-carboxylic acid

Work with 6-Quinoxalinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Quinolinecarboxylic acid10349-57-265 % similar 2,1,3-Benzothiadiazole-5-carboxylic acid16405-98-461 % similar 2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-561 % similar Benzotriazole-5-carboxylic acid23814-12-261 % similar 4-Bromoquinoline-6-carboxylic acid219763-87-859 % similar 2,3-Dimethylquinoxaline-6-carboxylic acid17635-26-657 % similar 2,2'-Bipyridine-4,4'-dicarboxylic acid6813-38-356 % similar 1H-Benzimidazole-5-carboxylic acid15788-16-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,6-Naphthyridine-2-carboxylic acid197507-59-8 5-Nitroso-8-hydroxyquinoline3565-26-2 4-Nitroisoquinoline36073-93-5 Toluene diisocyanate584-84-9 5-Nitroisoquinoline607-32-9 5-Nitroquinoline607-34-1 8-Nitroquinoline607-35-2 6-Nitroquinoline613-50-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook