5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one

C13H13BrClNO2 — CID 54718398

IUPAC5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCC1(C)CC(O)=C(c2ccc(Br)cc2Cl)C(=O)N1
InChIInChI=1S/C13H13BrClNO2/c1-13(2)6-10(17)11(12(18)16-13)8-4-3-7(14)5-9(8)15/h3-5,17H,6H2,1-2H3,(H,16,18)
InChIKeyVTINKQLRJMXYDR-UHFFFAOYSA-N
MW330.61 g/mol
LogP3.67
Rot. Bonds1

About 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one

5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one (PubChem CID 54718398) has the molecular formula C13H13BrClNO2 and a molecular weight of 330.61 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
PubChem CID54718398
Molecular FormulaC13H13BrClNO2
Molecular Weight330.61 g/mol
Exact Mass328.98
IUPAC Name5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCC1(C)CC(O)=C(c2ccc(Br)cc2Cl)C(=O)N1
InChIInChI=1S/C13H13BrClNO2/c1-13(2)6-10(17)11(12(18)16-13)8-4-3-7(14)5-9(8)15/h3-5,17H,6H2,1-2H3,(H,16,18)
InChIKeyVTINKQLRJMXYDR-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one (CID 54718398) is 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one is CC1(C)CC(O)=C(c2ccc(Br)cc2Cl)C(=O)N1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The InChIKey is VTINKQLRJMXYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2/c1-13(2)6-10(17)11(12(18)16-13)8-4-3-7(14)5-9(8)15/h3-5,17H,6H2,1-2H3,(H,16,18).
What are the key properties of 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one has a molecular weight of 330.61 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 54718398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).