chempirical

1H-Pyrrolo[3,2-B]pyridine-5-carboxylic acid

C8H6N2O2CAS 872355-64-1162.15 g/mol

Open in Covalent MOL file
OHONHN
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
872355-64-1
SMILES
O=C(O)c1ccc2[nH]ccc2n1
InChIKey
QWJIWJWEGVAMEB-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)7-2-1-5-6(10-7)3-4-9-5/h1-4,9H,(H,11,12)

Weigh it out

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

Work with 1H-Pyrrolo[3,2-B]pyridine-5-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

Quinaldic acid93-10-751 % similar Dipicolinic acid499-83-248 % similar 1H-Indole-5-carboxylic acid1670-81-146 % similar 1H-Indole-6-carboxylic acid1670-82-243 % similar 1H-Benzimidazole-2-carboxylic acid2849-93-643 % similar 6-Hydroxypicolinic acid19621-92-242 % similar 6-Chloropicolinic acid4684-94-042 % similar 6-Methylpicolinic acid934-60-141 % 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 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-Benzimidazole-5-carboxylic acid15788-16-6

Elsewhere

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