tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate

C₁₁H₁₆N₂O₃CAS 169280-83-5224.26 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₁H₁₆N₂O₃
Molar mass: 224.26 g/mol
Exact mass: 224.1161 Da
logP: 1.92Crippen estimate
Polar surface area: 71.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed28.6% of notifiers
H315 Causes skin irritation85.7% of notifiers
H317 May cause an allergic skin reaction28.6% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

169280-83-5

SMILES

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

InChIKey

BORDVYKLAFQRSP-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-9-5-4-8(7-14)6-12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15)

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Names and synonyms

1 names

tert-Butyl 5-(hydroxymethyl)pyridin-2-ylcarbamate

Work with tert-Butyl [5-(hydroxymethyl)pyridin-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

tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-273 % similar 2-(Boc-amino)-5-bromopyridine159451-66-862 % similar (6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid883231-20-762 % similar tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-760 % similar tert-Butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate910462-31-659 % similar 2-(Boc-amino)pyridine38427-94-056 % similar tert-Butyl (5-bromopyrazin-2-yl)carbamate914349-79-453 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Diethoxybenzohydrazide380482-31-5 2-Amino-6-nitro-4-(tert-pentyl)phenol83488-02-2 tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate914988-10-6

Elsewhere

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