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

C19H13ClF3NO — CID 134565237

IUPAC1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccccc2)c(-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C19H13ClF3NO/c20-18-15(7-4-8-16(18)19(21,22)23)17-11-14(25)9-10-24(17)12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyMBMYULAXHOBVCQ-UHFFFAOYSA-N
MW363.77 g/mol
LogP5.24
Rot. Bonds3

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

1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 134565237) has the molecular formula C19H13ClF3NO and a molecular weight of 363.77 g/mol. Its IUPAC name is 1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID134565237
Molecular FormulaC19H13ClF3NO
Molecular Weight363.77 g/mol
Exact Mass363.06
IUPAC Name1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccccc2)c(-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C19H13ClF3NO/c20-18-15(7-4-8-16(18)19(21,22)23)17-11-14(25)9-10-24(17)12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyMBMYULAXHOBVCQ-UHFFFAOYSA-N
XLogP5.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.77
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-3-[(2-chloro-6-fluorophenyl)methyl]-2-methylpyridin-4-one
CID 44422620
1-(2-chlorobenzyl)-4(1H)-pyridinone
CID 1253322
1-Benzyl-3-[(2-chlorophenyl)methyl]-2-methylpyridin-4(1H)-one
CID 44422614
1-(2-Chloro-6-fluorobenzyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile
CID 2765274
5-(4-Chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 5061162
1-(2,6-Dichlorophenyl)-6-(2,4-difluorophenyl)quinolizin-2-one
CID 16064294
1-[(2-Chlorophenyl)methyl]-3-isocyano-6-(3-methylphenyl)-4-(trifluoromethyl)pyridin-2-one
CID 59099060
1-[(2-Chlorophenyl)methyl]-6-(3-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67339973
1-[(4-Chlorophenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one
CID 69708696
1-Benzyl-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridin-2-one
CID 69708851
1-[(2-Chlorophenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one
CID 69709216
1-(Difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 122663095

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one (CID 134565237) is 1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one is O=c1ccn(Cc2ccccc2)c(-c2cccc(C(F)(F)F)c2Cl)c1.
What is the InChIKey of 1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is MBMYULAXHOBVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO/c20-18-15(7-4-8-16(18)19(21,22)23)17-11-14(25)9-10-24(17)12-13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 363.77 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 134565237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).