6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one

C13H12BrNO2 — CID 24788161

IUPAC6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(Cc2ccc(Br)cc2)n(O)c(=O)c1
InChIInChI=1S/C13H12BrNO2/c1-9-6-12(15(17)13(16)7-9)8-10-2-4-11(14)5-3-10/h2-7,17H,8H2,1H3
InChIKeyZEKPAZGZUTXMLV-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.75
Rot. Bonds2

About 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one

6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one (PubChem CID 24788161) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one
PubChem CID24788161
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(Cc2ccc(Br)cc2)n(O)c(=O)c1
InChIInChI=1S/C13H12BrNO2/c1-9-6-12(15(17)13(16)7-9)8-10-2-4-11(14)5-3-10/h2-7,17H,8H2,1H3
InChIKeyZEKPAZGZUTXMLV-UHFFFAOYSA-N
XLogP2.75
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.75
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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Related Compounds

CID 13590964
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CID 89001816
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CID 71816677
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CID 71816678
CID 71816678
CID 118717067
CID 118717067
CID 118717077
CID 118717077
CID 24782361
CID 24782361
CID 155511935
CID 155511935
CID 155512558
CID 155512558
CID 101784822
CID 101784822
CID 20158078
CID 20158078

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one (CID 24788161) is 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one is Cc1cc(Cc2ccc(Br)cc2)n(O)c(=O)c1.
What is the InChIKey of 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is ZEKPAZGZUTXMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9-6-12(15(17)13(16)7-9)8-10-2-4-11(14)5-3-10/h2-7,17H,8H2,1H3.
What are the key properties of 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one?
6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 294.15 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 24788161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).