2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one

C12H9Cl2NO — CID 118802676

IUPAC2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(-c2cc(Cl)cc(Cl)c2)[nH]ccc1=O
InChIInChI=1S/C12H9Cl2NO/c1-7-11(16)2-3-15-12(7)8-4-9(13)6-10(14)5-8/h2-6H,1H3,(H,15,16)
InChIKeyCUHULKZZHWMTEA-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.66
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one

2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one (PubChem CID 118802676) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one
PubChem CID118802676
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(-c2cc(Cl)cc(Cl)c2)[nH]ccc1=O
InChIInChI=1S/C12H9Cl2NO/c1-7-11(16)2-3-15-12(7)8-4-9(13)6-10(14)5-8/h2-6H,1H3,(H,15,16)
InChIKeyCUHULKZZHWMTEA-UHFFFAOYSA-N
XLogP3.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(chloromethyl)-3-methyl-1H-pyridin-4-one
CID 130836032
2-[5-chloro-2-(4-trimethylsilyltriazol-1-yl)phenyl]-3-methyl-1H-pyridin-4-one
CID 175952460
3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 133092476
2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one
CID 133092874
1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 134623637
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
3,5-bis(3,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092886
4-chloro-6-methyl-1H-pyridin-2-one
CID 58134605
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
6-chloro-1H-1,8-naphthyridin-4-one
CID 53485717

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one (CID 118802676) is 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one is Cc1c(-c2cc(Cl)cc(Cl)c2)[nH]ccc1=O.
What is the InChIKey of 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one?
The InChIKey is CUHULKZZHWMTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c1-7-11(16)2-3-15-12(7)8-4-9(13)6-10(14)5-8/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one?
2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one has a molecular weight of 254.12 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 118802676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).