tert-Butyl (5-formylpyridin-2-yl)carbamate

C₁₁H₁₄N₂O₃CAS 199296-40-7222.24 g/mol

Open in Covalent MOL file

Aldehyde Carbamate

Properties

Molecular formula: C₁₁H₁₄N₂O₃
Molar mass: 222.24 g/mol
Exact mass: 222.1004 Da
logP: 2.24Crippen estimate
Polar surface area: 68.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

199296-40-7

SMILES

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

InChIKey

WZROBBWIJBBWQP-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-5-4-8(7-14)6-12-9/h4-7H,1-3H3,(H,12,13,15)

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Names and synonyms

1 names

tert-Butyl N-(5-formylpyridin-2-yl)carbamate

Work with tert-Butyl (5-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-(Boc-amino)-5-bromopyridine159451-66-864 % similar tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-560 % similar tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-260 % similar 2-(Boc-amino)pyridine38427-94-057 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-749 % similar tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-849 % similar t-Butyl carbanilate3422-01-345 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-544 % similar

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

Same formula

1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)carbamate116026-95-0 N-Acetyl-L-tyrosinamide1948-71-6 Glycylphenylalanine3321-03-7 Glycylphenylalanine721-66-4

Elsewhere

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