3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

C19H12BrF4NO2 — CID 22050143

IUPAC3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C19H12BrF4NO2/c1-10-7-16(27-9-11-5-6-12(21)8-15(11)24)17(20)19(26)25(10)18-13(22)3-2-4-14(18)23/h2-8H,9H2,1H3
InChIKeyGOZUPPYBSRVJCV-UHFFFAOYSA-N
MW442.21 g/mol
LogP5.04
Rot. Bonds4

About 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 22050143) has the molecular formula C19H12BrF4NO2 and a molecular weight of 442.21 g/mol. Its IUPAC name is 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID22050143
Molecular FormulaC19H12BrF4NO2
Molecular Weight442.21 g/mol
Exact Mass441.00
IUPAC Name3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C19H12BrF4NO2/c1-10-7-16(27-9-11-5-6-12(21)8-15(11)24)17(20)19(26)25(10)18-13(22)3-2-4-14(18)23/h2-8H,9H2,1H3
InChIKeyGOZUPPYBSRVJCV-UHFFFAOYSA-N
XLogP5.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.21
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 22050143) is 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F.
What is the InChIKey of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is GOZUPPYBSRVJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF4NO2/c1-10-7-16(27-9-11-5-6-12(21)8-15(11)24)17(20)19(26)25(10)18-13(22)3-2-4-14(18)23/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 442.21 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 22050143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).