3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one

C12H16BrNO2 — CID 139553634

IUPAC3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1Br
InChIInChI=1S/C12H16BrNO2/c1-8-7-10(9-5-3-2-4-6-9)14(16)12(15)11(8)13/h7,9,16H,2-6H2,1H3
InChIKeyFMLJXLVLHOZSPI-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.20
Rot. Bonds1

About 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one

3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one (PubChem CID 139553634) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
PubChem CID139553634
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1Br
InChIInChI=1S/C12H16BrNO2/c1-8-7-10(9-5-3-2-4-6-9)14(16)12(15)11(8)13/h7,9,16H,2-6H2,1H3
InChIKeyFMLJXLVLHOZSPI-UHFFFAOYSA-N
XLogP3.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one (CID 139553634) is 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one is Cc1cc(C2CCCCC2)n(O)c(=O)c1Br.
What is the InChIKey of 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is FMLJXLVLHOZSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-7-10(9-5-3-2-4-6-9)14(16)12(15)11(8)13/h7,9,16H,2-6H2,1H3.
What are the key properties of 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one?
3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 286.17 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 139553634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).