[(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate

C11H15BrN2O2 — CID 155739115

IUPAC[(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate
SMILESCC[C@H](C)COC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O2/c1-3-8(2)7-16-11(15)14-9-4-5-10(12)13-6-9/h4-6,8H,3,7H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyDKGXMPPGEATVEK-QMMMGPOBSA-N
MW287.16 g/mol
LogP3.44
Rot. Bonds4

About [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate

[(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate (PubChem CID 155739115) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate.

Molecular Properties

Compound Name[(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate
PubChem CID155739115
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name[(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate
SMILESCC[C@H](C)COC(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O2/c1-3-8(2)7-16-11(15)14-9-4-5-10(12)13-6-9/h4-6,8H,3,7H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyDKGXMPPGEATVEK-QMMMGPOBSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077
(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
CID 103813937
N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide
CID 164646765
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
2-methylpentyl 6-bromopyridine-3-carboxylate
CID 103285936
N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide
CID 130163122
N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide
CID 110408468
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate?
The IUPAC name of [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate (CID 155739115) is [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate.
What is the SMILES notation for [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate?
The canonical SMILES for [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate is CC[C@H](C)COC(=O)Nc1ccc(Br)nc1.
What is the InChIKey of [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate?
The InChIKey is DKGXMPPGEATVEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-8(2)7-16-11(15)14-9-4-5-10(12)13-6-9/h4-6,8H,3,7H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate?
[(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate has a molecular weight of 287.16 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate is sourced from PubChem (CID 155739115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).