1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one

C11H13BrN2O — CID 58268580

IUPAC1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1cccnc1Br
InChIInChI=1S/C11H13BrN2O/c12-11-9(4-3-6-13-11)8-14-7-2-1-5-10(14)15/h3-4,6H,1-2,5,7-8H2
InChIKeyZNOUPXXSZLPZJU-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.36
Rot. Bonds2

About 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one

1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one (PubChem CID 58268580) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one
PubChem CID58268580
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1cccnc1Br
InChIInChI=1S/C11H13BrN2O/c12-11-9(4-3-6-13-11)8-14-7-2-1-5-10(14)15/h3-4,6H,1-2,5,7-8H2
InChIKeyZNOUPXXSZLPZJU-UHFFFAOYSA-N
XLogP2.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 62464540
1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one
CID 55075717
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
1-[(2,3-dihydroxyphenyl)methyl]azepan-2-one
CID 134821259
1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 86979298
1-[(2-hydroxy-3-methylphenyl)methyl]azepan-2-one
CID 71504914
1-[(2-chloro-4-pyridinyl)methyl]azocan-2-one
CID 62471320
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
3-bromo-4-[(2-oxoazocan-1-yl)methyl]benzoic acid
CID 102766078
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
1-[(3-amino-5-bromophenyl)methyl]azocan-2-one
CID 103350061

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one (CID 58268580) is 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one is O=C1CCCCN1Cc1cccnc1Br.
What is the InChIKey of 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one?
The InChIKey is ZNOUPXXSZLPZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-11-9(4-3-6-13-11)8-14-7-2-1-5-10(14)15/h3-4,6H,1-2,5,7-8H2.
What are the key properties of 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one?
1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one is sourced from PubChem (CID 58268580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).