chempirical

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

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 Diethyl phthalate84-66-260 % similar Ethyl o-chlorobenzoate7335-25-359 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-857 % similar Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-157 % similar Ethyl 2-pyridinecarboxylate2524-52-955 % similar Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate5909-24-054 % similar

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

Same formula

2-(2-Chlorophenyl)glycine141196-64-7 (αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-6 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Ethyl 6-chloronicotinate49608-01-7 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

Elsewhere

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