3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one

C19H15BrFNO2 — CID 10126535

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H15BrFNO2/c20-18-17(24-13-14-5-2-1-3-6-14)9-10-22(19(18)23)12-15-7-4-8-16(21)11-15/h1-11H,12-13H2
InChIKeyXDRGITSMHZBTQM-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.38
Rot. Bonds5

About 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one

3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one (PubChem CID 10126535) has the molecular formula C19H15BrFNO2 and a molecular weight of 388.24 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
PubChem CID10126535
Molecular FormulaC19H15BrFNO2
Molecular Weight388.24 g/mol
Exact Mass387.03
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H15BrFNO2/c20-18-17(24-13-14-5-2-1-3-6-14)9-10-22(19(18)23)12-15-7-4-8-16(21)11-15/h1-11H,12-13H2
InChIKeyXDRGITSMHZBTQM-UHFFFAOYSA-N
XLogP4.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
CID 10126288
3-bromo-1-(3-fluorobenzyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 10194381
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-fluorobenzyl)pyridin-2(1H)-one
CID 10216550
1-benzyl-4-(benzyloxy)-3-chloropyridin-2(1H)-one
CID 10236731
1-(3-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11155124
1-(4-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11178413
4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzonitrile
CID 11270757
4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzamide
CID 11305782
3-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzonitrile
CID 11442171
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-[(dimethylamino)methyl]pyridin-2(1H)-one
CID 22050098
3-Bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050143
3-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050440

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one (CID 10126535) is 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one is O=c1c(Br)c(OCc2ccccc2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is XDRGITSMHZBTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNO2/c20-18-17(24-13-14-5-2-1-3-6-14)9-10-22(19(18)23)12-15-7-4-8-16(21)11-15/h1-11H,12-13H2.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one?
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 388.24 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 10126535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).