chempirical

tert-Butyl 2-chloropyridine-4-carboxylate

C10H12ClNO2CAS 295349-62-1213.66 g/mol

Open in Covalent MOL file
OONCl
Aryl halideEster

Properties

Molecular formula
C10H12ClNO2
Molar mass
213.66 g/mol
Exact mass
213.0557 Da
logP
2.69Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
295349-62-1
SMILES
CC(C)(C)OC(=O)C1=CC(=NC=C1)Cl
InChIKey
FPUSSPQEUANTGI-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-12-8(11)6-7/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Chloropyridine-4-carboxylic acid tert-butyl ester

Work with tert-Butyl 2-chloropyridine-4-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

Methyl 2-chloroisonicotinate58481-11-166 % similar 1-(2-Chloro-pyridin-4-yl)-ethanone23794-15-254 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-052 % similar 2-Chloroisonicotinamide100859-84-551 % similar 2-Chloropyridine-4-carbonyl chloride65287-34-551 % similar 2-Chloroisonicotinic acid6313-54-850 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-848 % similar tert-Butyl 4-(chloromethyl)benzoate121579-86-047 % similar

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

Same formula

Chlorpropham101-21-3 Baclofen1134-47-0 (βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-6 (βS)-β-Amino-4-chlorobenzenebutanoic acid270596-41-3 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride41994-51-8 4-tert-Butyl-1-chloro-2-nitrobenzene58574-05-3 (S)-Baclofen66514-99-6 (-)-Baclofen69308-37-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook