Methyl 7-azaindole-6-carboxylate

C9H8N2O2CAS 1256825-86-1176.18 g/mol

Open in Covalent MOL file
OONNH
Ester

Properties

Molecular formula
C9H8N2O2
Molar mass
176.18 g/mol
Exact mass
176.0586 Da
logP
1.35Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
1256825-86-1
SMILES
COC(=O)C1=NC2=C(C=C1)C=CN2
InChIKey
XNOPDFAJQROROS-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-6-4-5-10-8(6)11-7/h2-5H,1H3,(H,10,11)

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Names and synonyms

1 names
  • Methyl 1H-pyrrolo(2,3-b)pyridine-6-carboxylate

Work with Methyl 7-azaindole-6-carboxylate

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-Pyrrolo(2,3-b)pyridine-6-carboxylic acid898746-35-558 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-854 % similar 1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid methyl ester849067-96-554 % similar Methyl indole-6-carboxylate50820-65-051 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-550 % similar 6-Methoxy-1H-pyrrolo[2,3-b]pyridine896722-53-550 % similar Methyl indole-5-carboxylate1011-65-048 % similar Methyl5-fluoro-6-methylpicolinate1245647-61-348 % 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 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 4-Amino-N-methylphthalimide2307-00-8

Elsewhere

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