3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one

C19H13ClF4N2O2 — CID 11847736

IUPAC3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2c[nH]c(-c3cc(C(F)(F)F)ccc3F)cc2=O)c(=O)c1Cl
InChIInChI=1S/C19H13ClF4N2O2/c1-8-16(18(28)17(20)9(2)26-8)12-7-25-14(6-15(12)27)11-5-10(19(22,23)24)3-4-13(11)21/h3-7H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKWBFXTNYRGDLDK-UHFFFAOYSA-N
MW412.77 g/mol
LogP4.83
Rot. Bonds2

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

3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 11847736) has the molecular formula C19H13ClF4N2O2 and a molecular weight of 412.77 g/mol. Its IUPAC name is 3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID11847736
Molecular FormulaC19H13ClF4N2O2
Molecular Weight412.77 g/mol
Exact Mass412.06
IUPAC Name3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2c[nH]c(-c3cc(C(F)(F)F)ccc3F)cc2=O)c(=O)c1Cl
InChIInChI=1S/C19H13ClF4N2O2/c1-8-16(18(28)17(20)9(2)26-8)12-7-25-14(6-15(12)27)11-5-10(19(22,23)24)3-4-13(11)21/h3-7H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKWBFXTNYRGDLDK-UHFFFAOYSA-N
XLogP4.83
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.77
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847738
3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847650
3-[6-(4-butoxyphenyl)-4-oxo-1H-pyridin-3-yl]-5-chloro-2,6-dimethyl-1H-pyridin-4-one
CID 69059401
3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one
CID 11847708
3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 121236449
3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one
CID 11848051
6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358380
3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
CID 141083856
3-chloro-5-[4-(3,5-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44531206
6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 170432317
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
3-[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridinyl]-5-bromo-2,6-dimethyl-1H-pyridin-4-one
CID 44529497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one (CID 11847736) is 3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2c[nH]c(-c3cc(C(F)(F)F)ccc3F)cc2=O)c(=O)c1Cl.
What is the InChIKey of 3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is KWBFXTNYRGDLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N2O2/c1-8-16(18(28)17(20)9(2)26-8)12-7-25-14(6-15(12)27)11-5-10(19(22,23)24)3-4-13(11)21/h3-7H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 412.77 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 11847736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).