chempirical

1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid

C8H6N2O2CAS 136818-50-3162.15 g/mol

Open in Covalent MOL file
NHOOHN
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
136818-50-3
SMILES
C1=CC2=C(NC(=C2)C(=O)O)N=C1
InChIKey
DXMRZBGFYBCTLR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-4-5-2-1-3-9-7(5)10-6/h1-4H,(H,9,10)(H,11,12)

Weigh it out

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

Work with 1H-Pyrrolo[2,3-B]pyridine-2-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

Indole-2-carboxylic acid1477-50-557 % similar 7-Chloro-1H-indole-2-carboxylic acid28899-75-453 % similar 1H-Pyrrolo[2,3-C]pyridine-2-carboxylic acid24334-20-151 % similar 7-Methyl-1H-indole-2-carboxylic acid18474-60-750 % similar 5-Chloro-1H-pyrrolo[2,3-C]pyridine-2-carboxylic acid800401-68-749 % similar 6-Quinolinecarboxylic acid10349-57-249 % similar Thieno[2,3-B]pyridine-2-carboxylic acid59944-76-248 % similar Indole-2,5-dicarboxylic acid117140-77-946 % 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 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 Imidazo[1,2-A]pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Benzimidazole-5-carboxylic acid15788-16-6 Quinoxalinedione15804-19-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook