chempirical

Ethyl 6-chloronicotinate

C8H8ClNO2CAS 49608-01-7185.61 g/mol

Open in Covalent MOL file
OOClN
Aryl halideEster

Properties

Molecular formula
C8H8ClNO2
Molar mass
185.61 g/mol
Exact mass
185.0244 Da
Melting point
195 °C (decomposes)
Boiling point
150 °C (at 18 Torr)
logP
1.91Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
49608-01-7
SMILES
CCOC(=O)c1ccc(Cl)nc1
InChIKey
ILDJJTQWIZLGPO-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3

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Names and synonyms

6 names
  • 3-Pyridinecarboxylic acid, 6-chloro-, ethyl ester
  • Ethyl 2-chloro-5-pyridinecarboxylate
  • 6-Chloronicotinic acid ethyl ester
  • Ethyl 6-chloro-3-pyridinecarboxylate
  • 2-Chloropyridine-5-carboxylic acid ethyl ester
  • Ethyl 6-chloro-3-nicotinate

Work with Ethyl 6-chloronicotinate

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

5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-569 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-467 % similar Diethyl terephthalate636-09-961 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-060 % similar Ethyl 4-chlorobenzoate7335-27-559 % similar Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-157 % similar Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate1150566-27-056 % similar Ethyl nicotinate614-18-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-6 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Methyl 2-amino-5-chlorobenzoate5202-89-1 Methyl 2-amino-4-chlorobenzoate5900-58-3 1-(Chloromethyl)-2-methyl-3-nitrobenzene60468-54-4 α-Amino-4-chlorobenzeneacetic acid6212-33-5 α-Amino-4-chlorobenzeneacetic acid7292-70-8 Methyl 2-amino-3-chlorobenzoate77820-58-7

Elsewhere

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