tert-Butyl (4-chloro-3-formylpyridin-2-yl)carbamate

C₁₁H₁₃ClN₂O₃CAS 868736-42-9256.69 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Carbamate

Properties

Molecular formula: C₁₁H₁₃ClN₂O₃
Molar mass: 256.69 g/mol
Exact mass: 256.0615 Da
logP: 2.89Crippen estimate
Polar surface area: 68.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

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

868736-42-9

SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1C=O)Cl

InChIKey

QWVXQYZWGQFXPU-UHFFFAOYSA-N

InChI

InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9/h4-6H,1-3H3,(H,13,14,16)

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Names and synonyms

1 names

tert-Butyl 4-chloro-3-formylpyridin-2-ylcarbamate

Work with tert-Butyl (4-chloro-3-formylpyridin-2-yl)carbamate

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

2-(N-Boc-Amino)-3-methylpyridine138343-75-652 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-751 % similar tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-750 % similar (2-[(tert-Butoxycarbonyl)amino]pyridin-3-yl)boronic acid863753-35-948 % similar 2-(Boc-amino)pyridine38427-94-046 % similar tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-845 % similar 4-(Boc-amino)-2-bromopyridine433711-95-645 % similar 2,4-Dichloropyridine-3-carbaldehyde134031-24-643 % similar

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

Same formula

Ethyl 2-chloro-2-[2-(4-methoxyphenyl)hydrazono]acetate27143-07-3 Ethyl (2Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]acetate473927-63-8 tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate893423-62-6

Elsewhere

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