1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one

C13H12ClNO — CID 873406

IUPAC1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO/c1-9-7-13(16)8-10(2)15(9)12-5-3-11(14)4-6-12/h3-8H,1-2H3
InChIKeyIETDYLXEBHMGCA-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.11
Rot. Bonds1

About 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one

1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one (PubChem CID 873406) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one
PubChem CID873406
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO/c1-9-7-13(16)8-10(2)15(9)12-5-3-11(14)4-6-12/h3-8H,1-2H3
InChIKeyIETDYLXEBHMGCA-UHFFFAOYSA-N
XLogP3.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one (CID 873406) is 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one?
The InChIKey is IETDYLXEBHMGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-7-13(16)8-10(2)15(9)12-5-3-11(14)4-6-12/h3-8H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one?
1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one has a molecular weight of 233.70 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 873406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).