Ethyl chloronicotinate

C8H8ClNO2CAS 1452-94-4185.61 g/mol

Open in Covalent MOL file
OONCl
Aryl halideEster

Properties

Molecular formula
C8H8ClNO2
Molar mass
185.61 g/mol
Exact mass
185.0244 Da
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 50 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
1452-94-4
SMILES
CCOC(=O)C1=C(N=CC=C1)Cl
InChIKey
PMIMPBYTPPRBGD-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3

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Names and synonyms

1 names
  • Ethyl 2-chloronicotinate

Work with Ethyl 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

Ethyl 2-methyl-3-pyridinecarboxylate1721-26-267 % similar Methyl 2-chloronicotinate40134-18-766 % similar Ethyl 2-aminopyridine-3-carboxylate13362-26-065 % similar Ethyl 2-bromonicotinate53087-78-865 % similar Ethyl 2-(Trifluoromethyl)nicotinate208517-35-560 % similar Diethyl phthalate84-66-260 % similar Ethyl o-chlorobenzoate7335-25-359 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-857 % 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 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 Methyl 4-amino-2-chlorobenzoate46004-37-9

Elsewhere

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