2-(N-Boc-Amino)-3-methylpyridine

C11H16N2O2CAS 138343-75-6208.26 g/mol

Open in Covalent MOL file
NNHOO
Carbamate

Properties

Molecular formula
C11H16N2O2
Molar mass
208.26 g/mol
Exact mass
208.1212 Da
logP
2.74Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
138343-75-6
SMILES
CC1=C(N=CC=C1)NC(=O)OC(C)(C)C
InChIKey
MJPLUXLNYQHWIU-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2O2/c1-8-6-5-7-12-9(8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)

Weigh it out

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Names and synonyms

1 names
  • 2-(Boc-amino)-3-methylpyridine

Work with 2-(N-Boc-Amino)-3-methylpyridine

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-[(tert-Butoxycarbonyl)amino]pyridin-3-yl)boronic acid863753-35-964 % similar 2-(Boc-amino)pyridine38427-94-060 % similar 4-(Boc-amino)pyridine98400-69-252 % similar tert-Butyl (4-chloro-3-formylpyridin-2-yl)carbamate868736-42-952 % similar t-Butyl carbanilate3422-01-351 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-748 % similar tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-848 % similar (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester211029-67-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(Dimethylamino)ethyl p-aminobenzoate10012-47-2 N-(tert-Butoxycarbonyl)-1,2-phenylenediamine146651-75-4 2-Methoxy-4-morpholinoaniline209960-91-8 N-Boc-M-phenylenediamine68621-88-5 tert-Butyl (4-aminophenyl)carbamate71026-66-9 3-Ethyl-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one849903-79-3 Pilocarpine92-13-7

Elsewhere

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