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

C₁₁H₁₃ClN₂O₃CAS 893423-62-6256.69 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

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

893423-62-6

SMILES

CC(C)(C)OC(=O)NC1=C(C(=NC=C1)Cl)C=O

InChIKey

YNHFPXDHWTUUCL-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

N-[2-Chloro-3-formyl-4-pyridinyl]carbamic acid tert-butyl ester

Work with tert-Butyl (2-chloro-3-formylpyridin-4-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

(4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-751 % similar tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-750 % similar (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester211029-67-348 % similar 2-(Boc-amino)pyridine38427-94-046 % similar 4-(Boc-amino)pyridine98400-69-246 % 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 (4-chloro-3-formylpyridin-2-yl)carbamate868736-42-9

Elsewhere

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