Ethyl 2-methyl-3-pyridinecarboxylate

C9H11NO2CAS 1721-26-2165.19 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
146–147 °C
Boiling point
126–127 °C (at 24 Torr)
logP
1.57Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
1721-26-2
SMILES
CCOC(=O)c1cccnc1C
InChIKey
TZORNSWZUZDUCU-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3

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Names and synonyms

6 names
  • 3-Pyridinecarboxylic acid, 2-methyl-, ethyl ester
  • Nicotinic acid, 2-methyl-, ethyl ester
  • Ethyl 2-methylnicotinate
  • 2-Methylnicotinic acid ethyl ester
  • NSC 521051
  • 2-Methylpyridine-3-carboxylic acid ethyl ester

Work with Ethyl 2-methyl-3-pyridinecarboxylate

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

Ethyl 2-aminopyridine-3-carboxylate13362-26-067 % similar Ethyl chloronicotinate1452-94-467 % similar Ethyl 2-bromonicotinate53087-78-867 % similar Methyl 2-methylnicotinate65719-09-765 % similar Ethyl 2-(Trifluoromethyl)nicotinate208517-35-562 % similar Diethyl phthalate84-66-262 % similar Ethyl 2,4-dimethylnicotinate37669-78-659 % similar Ethyl 2-methylbenzoate87-24-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

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