chempirical

1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid

C8H6N2O2CAS 156270-06-3162.15 g/mol

Open in Covalent MOL file
HNOOHN
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
156270-06-3
SMILES
C1=CC2=C(NC=C2C(=O)O)N=C1
InChIKey
KYBIRFFGAIFLPM-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)(H,11,12)

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Names and synonyms

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

Work with 1H-Pyrrolo(2,3-b)pyridine-3-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

Quinolinic acid89-00-951 % similar 2-Hydroxynicotinic acid609-71-250 % similar 2-Chloronicotinic acid2942-59-849 % similar 2-Methylnicotinic acid3222-56-849 % similar 2-Mercaptonicotinic acid38521-46-949 % similar 2-Fluoronicotinic acid393-55-549 % similar 2-Aminonicotinic acid5345-47-149 % similar α-Amino-1H-pyrrolo[2,3-B]pyridine-3-propanoic acid7303-50-648 % 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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