3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one

C19H13BrF3NO2 — CID 11407599

IUPAC3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)c(F)c2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H13BrF3NO2/c20-18-17(26-11-13-4-5-15(22)16(23)9-13)6-7-24(19(18)25)10-12-2-1-3-14(21)8-12/h1-9H,10-11H2
InChIKeyCPIIZOXPHSIVJV-UHFFFAOYSA-N
MW424.22 g/mol
LogP4.66
Rot. Bonds5

About 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one

3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one (PubChem CID 11407599) has the molecular formula C19H13BrF3NO2 and a molecular weight of 424.22 g/mol. Its IUPAC name is 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one
PubChem CID11407599
Molecular FormulaC19H13BrF3NO2
Molecular Weight424.22 g/mol
Exact Mass423.01
IUPAC Name3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)c(F)c2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H13BrF3NO2/c20-18-17(26-11-13-4-5-15(22)16(23)9-13)6-7-24(19(18)25)10-12-2-1-3-14(21)8-12/h1-9H,10-11H2
InChIKeyCPIIZOXPHSIVJV-UHFFFAOYSA-N
XLogP4.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.22
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one (CID 11407599) is 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one is O=c1c(Br)c(OCc2ccc(F)c(F)c2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is CPIIZOXPHSIVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3NO2/c20-18-17(26-11-13-4-5-15(22)16(23)9-13)6-7-24(19(18)25)10-12-2-1-3-14(21)8-12/h1-9H,10-11H2.
What are the key properties of 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one?
3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 424.22 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 11407599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).