2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one

C12H6Cl2F3NO — CID 118842069

IUPAC2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C12H6Cl2F3NO/c13-8-2-1-6(3-9(8)14)10-4-7(19)5-11(18-10)12(15,16)17/h1-5H,(H,18,19)
InChIKeyYSGYSFDQGHANDY-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.37
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one

2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118842069) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118842069
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C12H6Cl2F3NO/c13-8-2-1-6(3-9(8)14)10-4-7(19)5-11(18-10)12(15,16)17/h1-5H,(H,18,19)
InChIKeyYSGYSFDQGHANDY-UHFFFAOYSA-N
XLogP4.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 118832989
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
CID 116884455
4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092429
2-sulfanyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 86288883
4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133092866
3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one
CID 82519139
2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
CID 13421630
2-tert-butyl-6-(3,4-dichlorophenyl)-1H-pyrimidine-4-thione
CID 106516354
5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 43668071
8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one
CID 114260850
4-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 138970595

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one (CID 118842069) is 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH]c(C(F)(F)F)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is YSGYSFDQGHANDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-8-2-1-6(3-9(8)14)10-4-7(19)5-11(18-10)12(15,16)17/h1-5H,(H,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one?
2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 308.09 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118842069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).