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

C12H6Cl2F3NO — CID 118808098

IUPAC2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2)[nH]cc1C(F)(F)F
InChIInChI=1S/C12H6Cl2F3NO/c13-7-1-6(2-8(14)3-7)10-4-11(19)9(5-18-10)12(15,16)17/h1-5H,(H,18,19)
InChIKeyIFLNBCZCPNNBMZ-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.37
Rot. Bonds1

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

2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118808098) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118808098
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2)[nH]cc1C(F)(F)F
InChIInChI=1S/C12H6Cl2F3NO/c13-7-1-6(2-8(14)3-7)10-4-11(19)9(5-18-10)12(15,16)17/h1-5H,(H,18,19)
InChIKeyIFLNBCZCPNNBMZ-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-(4-chloro-3-fluorophenyl)-1H-pyridin-4-one
CID 58134347
2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 134565966
4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one
CID 2779392
4-[(3-Chlorobenzyl)amino]-1,1,1-trifluorobut-3-en-2-one
CID 5709077
2-(3-Chloro-5-fluorophenyl)pyridin-4(1H)-one
CID 53229416
2-(3-Chloro-4-fluorophenyl)pyridin-4(1H)-one
CID 53229420
(Z)-4-[(3-chlorophenyl)methylamino]-1,1,1-trifluorobut-3-en-2-one
CID 92178887
3-Amino-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-4-one
CID 102855893
3-[(3-Chloro-4-fluorophenyl)methylamino]cyclopent-2-en-1-one
CID 104788475
2-(4-chloro-2-fluorophenyl)-1H-pyridin-4-one
CID 106519977
2-(2-chloro-4-fluorophenyl)-1H-pyridin-4-one
CID 106520964
6-(3,5-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106522641

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one (CID 118808098) is 2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(-c2cc(Cl)cc(Cl)c2)[nH]cc1C(F)(F)F.
What is the InChIKey of 2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is IFLNBCZCPNNBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-7-1-6(2-8(14)3-7)10-4-11(19)9(5-18-10)12(15,16)17/h1-5H,(H,18,19).
What are the key properties of 2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
2-(3,5-dichlorophenyl)-5-(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-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118808098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).