3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one

C19H14ClF3N2O4 — CID 11847708

IUPAC3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2c[nH]c(Oc3ccc(OC(F)(F)F)cc3)cc2=O)c(=O)c1Cl
InChIInChI=1S/C19H14ClF3N2O4/c1-9-16(18(27)17(20)10(2)25-9)13-8-24-15(7-14(13)26)28-11-3-5-12(6-4-11)29-19(21,22)23/h3-8H,1-2H3,(H,24,26)(H,25,27)
InChIKeyRPRZRDCMXPTQCW-UHFFFAOYSA-N
MW426.78 g/mol
LogP4.69
Rot. Bonds4

About 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one

3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one (PubChem CID 11847708) has the molecular formula C19H14ClF3N2O4 and a molecular weight of 426.78 g/mol. Its IUPAC name is 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one
PubChem CID11847708
Molecular FormulaC19H14ClF3N2O4
Molecular Weight426.78 g/mol
Exact Mass426.06
IUPAC Name3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2c[nH]c(Oc3ccc(OC(F)(F)F)cc3)cc2=O)c(=O)c1Cl
InChIInChI=1S/C19H14ClF3N2O4/c1-9-16(18(27)17(20)10(2)25-9)13-8-24-15(7-14(13)26)28-11-3-5-12(6-4-11)29-19(21,22)23/h3-8H,1-2H3,(H,24,26)(H,25,27)
InChIKeyRPRZRDCMXPTQCW-UHFFFAOYSA-N
XLogP4.69
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.78
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one with MolForge

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Related Compounds

5-chloro-2-(hydroxymethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
CID 161013775
3-chloro-2-[(dimethylamino)methyl]-6-methyl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
CID 56683755
3-[6-(4-butoxyphenyl)-4-oxo-1H-pyridin-3-yl]-5-chloro-2,6-dimethyl-1H-pyridin-4-one
CID 69059401
3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847736
argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
CID 161152145
3-chloro-5-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847738
sodium [5-chloro-6-methyl-4-oxo-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-2-yl]methyl hydrogen phosphate
CID 46897715
3-chloro-5-[4-(3,5-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44531206
3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 69060056
3-bromo-4-methoxy-2,6-dimethyl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine;3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
CID 161211993
3-chloro-2,6-dimethyl-5-[4-[5-[[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]methyl]thiophen-2-yl]phenyl]-1H-pyridin-4-one
CID 46846442
3-chloro-2,6-dimethyl-5-[4-[3-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]prop-1-ynyl]phenyl]-1H-pyridin-4-one
CID 46846437

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one?
The IUPAC name of 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one (CID 11847708) is 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2c[nH]c(Oc3ccc(OC(F)(F)F)cc3)cc2=O)c(=O)c1Cl.
What is the InChIKey of 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one?
The InChIKey is RPRZRDCMXPTQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O4/c1-9-16(18(27)17(20)10(2)25-9)13-8-24-15(7-14(13)26)28-11-3-5-12(6-4-11)29-19(21,22)23/h3-8H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one?
3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one has a molecular weight of 426.78 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one is sourced from PubChem (CID 11847708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).