4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid

C18H12FNO4 — CID 138105966

IUPAC4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(O)c(=O)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
InChIKeyZTIFGKNOJZNMHX-UHFFFAOYSA-N
MW325.30 g/mol
LogP3.25
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid

4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid (PubChem CID 138105966) has the molecular formula C18H12FNO4 and a molecular weight of 325.30 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid
PubChem CID138105966
Molecular FormulaC18H12FNO4
Molecular Weight325.30 g/mol
Exact Mass325.08
IUPAC Name4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(O)c(=O)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
InChIKeyZTIFGKNOJZNMHX-UHFFFAOYSA-N
XLogP3.25
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-3-hydroxy-5-(4-isocyanophenyl)-1H-pyridin-2-one
CID 123605385
N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide
CID 144589656
5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 118316459
N-[4-[2-(4-formamidophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]phenyl]formamide
CID 118316448
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
CID 155666200
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole
CID 11817591
6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313827
2-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid;2-(4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 158576991
3-(4-fluorophenyl)-4-nitrobenzoic acid
CID 46313085
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid (CID 138105966) is 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid is O=C(O)c1ccc(-c2cc(O)c(=O)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid?
The InChIKey is ZTIFGKNOJZNMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24).
What are the key properties of 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid?
4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid has a molecular weight of 325.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]benzoic acid is sourced from PubChem (CID 138105966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).