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

Hazards

Warning
Irritant (GHS07)

Aggregated from 54 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
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

Weigh it out

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

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 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-368 % similar 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-467 % similar Ethyl 6-methylnicotinate21684-59-366 % similar Methyl 6-chloropyridine-3-carboxylate73781-91-665 % similar Ethyl 6-aminonicotinate39658-41-864 % similar Diethyl terephthalate636-09-961 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Chlorophenyl)glycine141196-64-7 (2S)-2-Amino-2-(2-chlorophenyl)acetic acid141315-50-6 Ethyl chloronicotinate1452-94-4 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Ethyl 6-chloropicolinate21190-89-6 Methyl 2-Chloro-6-methylisonicotinate3998-90-1 Methyl 3-amino-4-chlorobenzoate40872-87-5 Methyl-5-amino-2-chlorobenzoate42122-75-8

Elsewhere

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