1-Methylindazole-3-carboxylic acid

C9H8N2O2CAS 50890-83-0176.17 g/mol

Open in Covalent MOL file
NNOHO
Carboxylic acid

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
logP
1.27Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
50890-83-0
SMILES
CN1C2=CC=CC=C2C(=N1)C(=O)O
InChIKey
OVVDFORZEGKEJM-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13)

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Names and synonyms

1 names
  • 1H-Indazole-3-carboxylic acid, 1-methyl-

Work with 1-Methylindazole-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-Methyl-1H-indole-3-carboxylic acid32387-21-654 % similar 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-749 % similar 1-Methyl-1H-indazole-3-carboxaldehyde4002-83-949 % similar Granisetron109889-09-045 % similar Lonidamine50264-69-245 % similar Indazole-3-carboxylic acid4498-67-345 % similar Isoquinoline-1-carboxylic acid486-73-745 % similar 4-Methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid22300-56-744 % 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 5-Amino-1H-indole-2-carboxylic acid152213-40-6 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

Elsewhere

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