2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one

C13H11ClFNO — CID 169250042

IUPAC2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(-c2cc(F)c(C)cc2Cl)[nH]1
InChIInChI=1S/C13H11ClFNO/c1-7-3-11(14)10(6-12(7)15)13-5-9(17)4-8(2)16-13/h3-6H,1-2H3,(H,16,17)
InChIKeyOHVHELKXUMWAMJ-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.45
Rot. Bonds1

About 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one

2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one (PubChem CID 169250042) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one
PubChem CID169250042
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(-c2cc(F)c(C)cc2Cl)[nH]1
InChIInChI=1S/C13H11ClFNO/c1-7-3-11(14)10(6-12(7)15)13-5-9(17)4-8(2)16-13/h3-6H,1-2H3,(H,16,17)
InChIKeyOHVHELKXUMWAMJ-UHFFFAOYSA-N
XLogP3.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one (CID 169250042) is 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one is Cc1cc(=O)cc(-c2cc(F)c(C)cc2Cl)[nH]1.
What is the InChIKey of 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one?
The InChIKey is OHVHELKXUMWAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-7-3-11(14)10(6-12(7)15)13-5-9(17)4-8(2)16-13/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one?
2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one has a molecular weight of 251.69 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 169250042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).