chempirical

3-(5-Azaindole)carboxylic acid

C8H6N2O2CAS 119248-43-0162.15 g/mol

Open in Covalent MOL file
NHNOOH
Carboxylic acid

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
logP
1.26Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
119248-43-0
SMILES
C1=CN=CC2=C1NC=C2C(=O)O
InChIKey
KFXCBDIUQIOENT-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-4-10-7-1-2-9-3-5(6)7/h1-4,10H,(H,11,12)

Weigh it out

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

Names and synonyms

1 names
  • 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid

Work with 3-(5-Azaindole)carboxylic 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

5-Chloroindole-3-carboxylic acid10406-05-057 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-155 % similar Cinchomeronic acid490-11-954 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-254 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-251 % similar 5-Methoxy-1H-indole-3-carboxylic acid10242-01-051 % similar 3-Bromoisonicotinic acid13959-02-949 % similar 4-Methylnicotinic acid3222-50-249 % similar

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

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo[1,2-A]pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3 1H-Benzimidazole-5-carboxylic acid15788-16-6

Elsewhere

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