5-Amino-1H-indole-2-carboxylic acid

C₉H₈N₂O₂CAS 152213-40-6176.17 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₈N₂O₂
Molar mass: 176.17 g/mol
Exact mass: 176.0586 Da
logP: 1.45Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

152213-40-6

SMILES

C1=CC2=C(C=C1N)C=C(N2)C(=O)O

InChIKey

NKFIBMOQAPEKNZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N2O2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,10H2,(H,12,13)

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Names and synonyms

1 names

5-Amino-2-indolecarboxylic acid

Work with 5-Amino-1H-indole-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-2,5-dicarboxylic acid117140-77-967 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-165 % similar 5-Methylindole-2-carboxylic acid10241-97-163 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-263 % similar 5-Fluoroindole-2-carboxylic acid399-76-863 % similar 5-Bromo-1H-indole-2-carboxylic acid7254-19-563 % similar Indole-2-carboxylic acid1477-50-561 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 Pemoline2152-34-3 4-Amino-N-methylphthalimide2307-00-8

Elsewhere

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