4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one

C19H12F5NO2 — CID 22049894

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1-c1c(F)cc(F)cc1F
InChIInChI=1S/C19H12F5NO2/c1-10-4-14(27-9-11-2-3-12(20)5-15(11)22)8-18(26)25(10)19-16(23)6-13(21)7-17(19)24/h2-8H,9H2,1H3
InChIKeyIHUBCGSHNPNUAT-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.42
Rot. Bonds4

About 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one (PubChem CID 22049894) has the molecular formula C19H12F5NO2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one
PubChem CID22049894
Molecular FormulaC19H12F5NO2
Molecular Weight381.30 g/mol
Exact Mass381.08
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1-c1c(F)cc(F)cc1F
InChIInChI=1S/C19H12F5NO2/c1-10-4-14(27-9-11-2-3-12(20)5-15(11)22)8-18(26)25(10)19-16(23)6-13(21)7-17(19)24/h2-8H,9H2,1H3
InChIKeyIHUBCGSHNPNUAT-UHFFFAOYSA-N
XLogP4.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-methyl-2-quinolone
CID 182073
3-Bromo-1-(2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 10195536
4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2(1H)-one
CID 10151273
N-(4-fluorophenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 16008124
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-(hydroxymethyl)pyridin-2(1H)-one
CID 22049899
3-Bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22049990
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-[(dimethylamino)methyl]pyridin-2(1H)-one
CID 22050098
3-Bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050143
3-chloro-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050346
1-[4-(Aminomethyl)phenyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050423
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[4-(dimethylamino)-2,6-difluorophenyl]-6-methylpyridin-2-one
CID 22050450

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one (CID 22049894) is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1-c1c(F)cc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one?
The InChIKey is IHUBCGSHNPNUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5NO2/c1-10-4-14(27-9-11-2-3-12(20)5-15(11)22)8-18(26)25(10)19-16(23)6-13(21)7-17(19)24/h2-8H,9H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one has a molecular weight of 381.30 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one is sourced from PubChem (CID 22049894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).