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

C8H6N2O2CAS 860496-20-4162.15 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
860496-20-4
SMILES
C1=CC2=C(C(=CN2)C(=O)O)N=C1
InChIKey
VAQUJLYRUQNSEV-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)5-4-10-6-2-1-3-9-7(5)6/h1-4,10H,(H,11,12)

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Names and synonyms

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

Work with 1H-Pyrrolo(3,2-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

1H-Benzoimidazole-4-carboxylic acid46006-36-461 % similar Indole-3-carboxylic acid771-50-657 % similar 8-Quinolinecarboxylic acid86-59-955 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-654 % similar Quinolinic acid339155-13-451 % similar Quinolinic acid89-00-951 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-251 % similar 1H-Pyrrolo(2,3-c)pyridine-3-carboxylic acid67058-74-651 % 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-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3

Elsewhere

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