chempirical

Ethyl 4,6-dichloropyridine-3-carboxylate

C8H7Cl2NO2CAS 40296-46-6220.05 g/mol

Open in Covalent MOL file
OONClCl
Aryl halideEster

Properties

Molecular formula
C8H7Cl2NO2
Molar mass
220.05 g/mol
Exact mass
218.9854 Da
logP
2.57Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
40296-46-6
SMILES
CCOC(=O)C1=CN=C(C=C1Cl)Cl
InChIKey
AAUBVINEXCCXOK-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Ethyl 4,6-dichloronicotinate

Work with Ethyl 4,6-dichloropyridine-3-carboxylate

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

Methyl4,6-dichloronicotinate65973-52-667 % similar Ethyl 4,6-dichloropyridazine-3-carboxylate679406-03-260 % similar Ethyl o-chlorobenzoate7335-25-357 % similar Ethyl 6-chloronicotinate49608-01-757 % similar Ethyl 2,4-dichlorobenzoate56882-52-157 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-856 % similar 4,6-Dichloro-2-methyl-nicotinic acid ethyl ester686279-09-456 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-055 % similar

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

Same formula

Methyl N-(3,4-dichlorophenyl)carbamate1918-18-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook