4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C14H11ClF3NO — CID 129453025

IUPAC4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cc(Cl)cc(=O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO/c1-9-5-12(15)7-13(20)19(9)8-10-3-2-4-11(6-10)14(16,17)18/h2-7H,8H2,1H3
InChIKeyKTOCNDKUCBBHIY-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.88
Rot. Bonds2

About 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 129453025) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID129453025
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cc(Cl)cc(=O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO/c1-9-5-12(15)7-13(20)19(9)8-10-3-2-4-11(6-10)14(16,17)18/h2-7H,8H2,1H3
InChIKeyKTOCNDKUCBBHIY-UHFFFAOYSA-N
XLogP3.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 129453025) is 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is Cc1cc(Cl)cc(=O)n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is KTOCNDKUCBBHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-9-5-12(15)7-13(20)19(9)8-10-3-2-4-11(6-10)14(16,17)18/h2-7H,8H2,1H3.
What are the key properties of 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 301.70 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 129453025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).