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

C₉H₈N₂O₂CAS 136117-69-6176.17 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% 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

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Methyl imidazo(1,2-a)pyridine-7-carboxylate86718-01-667 % similar Imidazo(1,2-a)pyridine-6-carboxylic acid139022-25-659 % similar Dimethyl terephthalate120-61-652 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-751 % similar Methyl 6-methylnicotinate5470-70-250 % similar 6-Fluoronicotinic acid methyl ester1427-06-149 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-049 % similar Methyl 6-methoxynicotinate26218-80-449 % 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 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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