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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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

1-(1H-Pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one83393-46-863 % similar Methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate808137-94-263 % similar 1H-Pyrrolo[2,3-B]pyridine-4-carboxylic acid479553-01-061 % similar 1H-Pyrrolo(3,2-b)pyridine-3-carboxylic acid860496-20-459 % similar 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-757 % similar Indole-3-carboxylic acid771-50-657 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-654 % similar Quinoline-5-carboxylic acid7250-53-554 % 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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