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

C21H18BrF2NO2 — CID 10151273

IUPAC3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one
SMILESCc1cccc(C)c1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C21H18BrF2NO2/c1-12-5-4-6-13(2)20(12)25-14(3)9-18(19(22)21(25)26)27-11-15-7-8-16(23)10-17(15)24/h4-10H,11H2,1-3H3
InChIKeyLZQSJJLHDYOERR-UHFFFAOYSA-N
MW434.28 g/mol
LogP5.38
Rot. Bonds4

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

3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one (PubChem CID 10151273) has the molecular formula C21H18BrF2NO2 and a molecular weight of 434.28 g/mol. Its IUPAC name is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one
PubChem CID10151273
Molecular FormulaC21H18BrF2NO2
Molecular Weight434.28 g/mol
Exact Mass433.05
IUPAC Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one
SMILESCc1cccc(C)c1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C21H18BrF2NO2/c1-12-5-4-6-13(2)20(12)25-14(3)9-18(19(22)21(25)26)27-11-15-7-8-16(23)10-17(15)24/h4-10H,11H2,1-3H3
InChIKeyLZQSJJLHDYOERR-UHFFFAOYSA-N
XLogP5.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.28
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one (CID 10151273) is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one is Cc1cccc(C)c1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O.
What is the InChIKey of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one?
The InChIKey is LZQSJJLHDYOERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrF2NO2/c1-12-5-4-6-13(2)20(12)25-14(3)9-18(19(22)21(25)26)27-11-15-7-8-16(23)10-17(15)24/h4-10H,11H2,1-3H3.
What are the key properties of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one?
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one has a molecular weight of 434.28 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2-one is sourced from PubChem (CID 10151273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).