chempirical

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

C8H6N2O2CAS 754214-42-1162.15 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
1.21Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
754214-42-1
SMILES
O=C(O)c1c[nH]c2nccc-2c1
InChIKey
SINFYKZXNIJIEU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)(H,11,12)

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

Names and synonyms

1 names
  • 7-Azaindole-5-carboxylic acid

Work with 1H-Pyrrolo[2,3-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

4-(1H-Imidazol-2-yl)benzoic Acid108035-45-655 % similar 2-Chloroisonicotinic acid6313-54-850 % similar 1H-Pyrrolo[2,3-B]pyridin-5-ol98549-88-350 % similar Lutidinic acid499-80-949 % similar 6-Aminonicotinic acid3167-49-547 % similar 2-Fluoroisonicotinic acid402-65-347 % similar B-1H-Pyrrolo[2,3-B]pyridin-5-ylboronic acid944059-24-946 % similar 5-Bromo-1H-pyrrolo[2,3-B]pyridine183208-35-746 % 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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