chempirical

Methyl imidazo[1,2-A]pyridine-6-carboxylate

C9H8N2O2CAS 136117-69-6176.17 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
logP
1.12Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
136117-69-6
SMILES
COC(=O)C1=CN2C=CN=C2C=C1
InChIKey
BTDBMFODXFTFIL-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)7-2-3-8-10-4-5-11(8)6-7/h2-6H,1H3

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Names and synonyms

1 names
  • Methyl imidazo(1,2-a)pyridine-6-carboxylate

Work with Methyl imidazo[1,2-A]pyridine-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

Dimethyl terephthalate120-61-652 % similar Methyl 6-methylnicotinate5470-70-250 % similar Methyl 6-methoxynicotinate26218-80-449 % similar Methyl isonicotinate2459-09-849 % similar Methyl nicotinate93-60-748 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-547 % similar Methyl 6-formylpyridine-3-carboxylate10165-86-347 % similar Methyl 6-(bromomethyl)nicotinate131803-48-045 % 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 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Imidazo[1,2-A]pyridine-3-acetic acid17745-04-9 Pemoline2152-34-3 N-(4-Cyanophenyl)glycine42288-26-6 2-Methyl-5-nitroindole7570-47-0 Phenylhydantoin89-24-7

Elsewhere

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