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

C19H12ClF4NO — CID 134565235

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccc(F)cc2)c(-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C19H12ClF4NO/c20-18-15(2-1-3-16(18)19(22,23)24)17-10-14(26)8-9-25(17)11-12-4-6-13(21)7-5-12/h1-10H,11H2
InChIKeyPNAHTILRJLHLOL-UHFFFAOYSA-N
MW381.76 g/mol
LogP5.37
Rot. Bonds3

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

2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one (PubChem CID 134565235) has the molecular formula C19H12ClF4NO and a molecular weight of 381.76 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one
PubChem CID134565235
Molecular FormulaC19H12ClF4NO
Molecular Weight381.76 g/mol
Exact Mass381.05
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccc(F)cc2)c(-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C19H12ClF4NO/c20-18-15(2-1-3-16(18)19(22,23)24)17-10-14(26)8-9-25(17)11-12-4-6-13(21)7-5-12/h1-10H,11H2
InChIKeyPNAHTILRJLHLOL-UHFFFAOYSA-N
XLogP5.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.76
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one (CID 134565235) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one is O=c1ccn(Cc2ccc(F)cc2)c(-c2cccc(C(F)(F)F)c2Cl)c1.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one?
The InChIKey is PNAHTILRJLHLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4NO/c20-18-15(2-1-3-16(18)19(22,23)24)17-10-14(26)8-9-25(17)11-12-4-6-13(21)7-5-12/h1-10H,11H2.
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one?
2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one has a molecular weight of 381.76 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 134565235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).