(3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester

C₁₀H₁₃IN₂O₂CAS 211029-67-3320.13 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₁₀H₁₃IN₂O₂
Molar mass: 320.13 g/mol
Exact mass: 320.0022 Da
logP: 3.03Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

211029-67-3

SMILES

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

InChIKey

FFJIDTLUJQCVAI-UHFFFAOYSA-N

InChI

InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h4-6H,1-3H3,(H,12,13,14)

Weigh it out

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

Work with (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester

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-methylpyridine138343-75-648 % similar N-(tert-Butoxycarbonyl)-1,2-phenylenediamine146651-75-448 % similar 2-(Boc-amino)pyridine38427-94-048 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-247 % similar t-Butyl carbanilate3422-01-347 % similar 2-(Boc-amino)-5-bromopyridine159451-66-845 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-744 % similar tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-844 % similar

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

Elsewhere

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