tert-Butyl 2-chloropyridine-4-carboxylate

C₁₀H₁₂ClNO₂CAS 295349-62-1213.66 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₀H₁₂ClNO₂
Molar mass: 213.66 g/mol
Exact mass: 213.0557 Da
logP: 2.69Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

tert-Butyl 2,6-dichloroisonicotinate75308-46-268 % similar Methyl 2-chloroisonicotinate58481-11-166 % similar 1-(2-Chloro-pyridin-4-yl)-ethanone23794-15-254 % similar tert-Butyl 3-aminobenzoate92146-82-252 % 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

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

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