3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one

C13H9Cl2F2NO — CID 15457049

IUPAC3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one
SMILESCc1ccc(-c2ccc(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C13H9Cl2F2NO/c1-7-2-4-10(12(19)18(7)13(16)17)9-5-3-8(14)6-11(9)15/h2-6,13H,1H3
InChIKeyGNGCKJKMVQFMPD-UHFFFAOYSA-N
MW304.12 g/mol
LogP4.53
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one

3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one (PubChem CID 15457049) has the molecular formula C13H9Cl2F2NO and a molecular weight of 304.12 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one
PubChem CID15457049
Molecular FormulaC13H9Cl2F2NO
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one
SMILESCc1ccc(-c2ccc(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C13H9Cl2F2NO/c1-7-2-4-10(12(19)18(7)13(16)17)9-5-3-8(14)6-11(9)15/h2-6,13H,1H3
InChIKeyGNGCKJKMVQFMPD-UHFFFAOYSA-N
XLogP4.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one (CID 15457049) is 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one is Cc1ccc(-c2ccc(Cl)cc2Cl)c(=O)n1C(F)F.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one?
The InChIKey is GNGCKJKMVQFMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2NO/c1-7-2-4-10(12(19)18(7)13(16)17)9-5-3-8(14)6-11(9)15/h2-6,13H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one?
3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one has a molecular weight of 304.12 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(difluoromethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 15457049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).