5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one

C12H12BrNO2 — CID 54680535

IUPAC5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one
SMILESCC1CC(O)=C(Br)C(=O)N1c1ccccc1
InChIInChI=1S/C12H12BrNO2/c1-8-7-10(15)11(13)12(16)14(8)9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3
InChIKeyGQCRMKHARQAHRW-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.98
Rot. Bonds1

About 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one

5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one (PubChem CID 54680535) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one
PubChem CID54680535
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one
SMILESCC1CC(O)=C(Br)C(=O)N1c1ccccc1
InChIInChI=1S/C12H12BrNO2/c1-8-7-10(15)11(13)12(16)14(8)9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3
InChIKeyGQCRMKHARQAHRW-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one (CID 54680535) is 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one is CC1CC(O)=C(Br)C(=O)N1c1ccccc1.
What is the InChIKey of 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one?
The InChIKey is GQCRMKHARQAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-8-7-10(15)11(13)12(16)14(8)9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3.
What are the key properties of 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one?
5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one has a molecular weight of 282.14 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-methyl-1-phenyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 54680535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).