1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one

C12H10FNO2 — CID 134153004

IUPAC1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one
SMILESO=c1ccn(Cc2ccc(F)cc2)cc1O
InChIInChI=1S/C12H10FNO2/c13-10-3-1-9(2-4-10)7-14-6-5-11(15)12(16)8-14/h1-6,8,16H,7H2
InChIKeyJSFCKWQHNQGMAZ-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.74
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one

1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one (PubChem CID 134153004) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one
PubChem CID134153004
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one
SMILESO=c1ccn(Cc2ccc(F)cc2)cc1O
InChIInChI=1S/C12H10FNO2/c13-10-3-1-9(2-4-10)7-14-6-5-11(15)12(16)8-14/h1-6,8,16H,7H2
InChIKeyJSFCKWQHNQGMAZ-UHFFFAOYSA-N
XLogP1.74
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-2-methyl-1-(phenylmethyl)-4(1H)-pyridinone
CID 9549917
2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165376
2-[(2,6-difluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165494
2-[(2-fluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165554
1-benzyl-2,3-dihydropyridin-4(1H)-one
CID 13275577
1-[(4-Fluorophenyl)methyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 58067778
1-Benzyl-5-hydroxy-2-methylpyridin-4-one
CID 123130720
1-benzylpyridin-4(1H)-one
CID 12237889
(E)-4-[benzyl(methyl)amino]-1,1,1-trifluoro-3-buten-2-one
CID 5898736
(E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one
CID 6183943
1-[(4-Fluorophenyl)methyl]-5-hydroxy-4-oxo-pyridine-3-carboxamide
CID 127051833
1-[(2,4-Difluorophenyl)methyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 127052749

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one (CID 134153004) is 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one is O=c1ccn(Cc2ccc(F)cc2)cc1O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one?
The InChIKey is JSFCKWQHNQGMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-10-3-1-9(2-4-10)7-14-6-5-11(15)12(16)8-14/h1-6,8,16H,7H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one?
1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one has a molecular weight of 219.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-hydroxypyridin-4-one is sourced from PubChem (CID 134153004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).