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

C₈H₆N₂O₂CAS 24334-20-1162.15 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

24334-20-1

SMILES

O=C(O)c1cc2ccncc2[nH]1

InChIKey

PWWYFIZEQHFRJH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O2/c11-8(12)6-3-5-1-2-9-4-7(5)10-6/h1-4,10H,(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-C]pyridine-2-carboxylic acid

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

Indole-2-carboxylic acid1477-50-561 % similar 5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid800401-68-756 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-355 % similar 6-Chloro-1H-indole-2-carboxylic acid16732-75-555 % similar 6-Fluoroindole-2-carboxylic acid3093-97-855 % similar Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-855 % similar Indole-2,5-dicarboxylic acid117140-77-954 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-153 % 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

PubChem CAS Common Chemistry NIST WebBook