1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one

C13H8Cl2F3NO — CID 2746335

IUPAC1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl2F3NO/c14-9-4-8(5-10(15)6-9)7-19-3-1-2-11(12(19)20)13(16,17)18/h1-6H,7H2
InChIKeyFFMULUQALKXOTO-UHFFFAOYSA-N
MW322.11 g/mol
LogP4.22
Rot. Bonds2

About 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one

1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 2746335) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID2746335
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl2F3NO/c14-9-4-8(5-10(15)6-9)7-19-3-1-2-11(12(19)20)13(16,17)18/h1-6H,7H2
InChIKeyFFMULUQALKXOTO-UHFFFAOYSA-N
XLogP4.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one (CID 2746335) is 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is FFMULUQALKXOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c14-9-4-8(5-10(15)6-9)7-19-3-1-2-11(12(19)20)13(16,17)18/h1-6H,7H2.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 322.11 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 2746335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).