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

C18H13BrFNO — CID 71201156

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
SMILESO=c1c(Br)c(-c2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C18H13BrFNO/c19-17-16(14-6-2-1-3-7-14)9-10-21(18(17)22)12-13-5-4-8-15(20)11-13/h1-11H,12H2
InChIKeyJQILJYUOJNBLKQ-UHFFFAOYSA-N
MW358.21 g/mol
LogP4.47
Rot. Bonds3

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

3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one (PubChem CID 71201156) has the molecular formula C18H13BrFNO and a molecular weight of 358.21 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
PubChem CID71201156
Molecular FormulaC18H13BrFNO
Molecular Weight358.21 g/mol
Exact Mass357.02
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
SMILESO=c1c(Br)c(-c2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C18H13BrFNO/c19-17-16(14-6-2-1-3-7-14)9-10-21(18(17)22)12-13-5-4-8-15(20)11-13/h1-11H,12H2
InChIKeyJQILJYUOJNBLKQ-UHFFFAOYSA-N
XLogP4.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one
CID 11259806
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one
CID 174481544
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 10287556
N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide
CID 22050757
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090133
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
CID 135737352
5-bromo-6-(4-fluorophenyl)-3-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 21089595
3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
CID 11224847
N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide
CID 22050043
3-bromo-1-[(3-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-one;2,2,2-trifluoroacetic acid
CID 22051025

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one (CID 71201156) is 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one is O=c1c(Br)c(-c2ccccc2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one?
The InChIKey is JQILJYUOJNBLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO/c19-17-16(14-6-2-1-3-7-14)9-10-21(18(17)22)12-13-5-4-8-15(20)11-13/h1-11H,12H2.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one?
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one has a molecular weight of 358.21 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one is sourced from PubChem (CID 71201156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).