1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid

C13H12FNO4 — CID 141112554

IUPAC1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=C(O)CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C13H12FNO4/c14-9-3-1-8(2-4-9)7-15-6-5-10(16)11(12(15)17)13(18)19/h1-4,16H,5-7H2,(H,18,19)
InChIKeyIIWNNCQTEUWZCU-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.45
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid

1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid (PubChem CID 141112554) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid
PubChem CID141112554
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid
SMILESO=C(O)C1=C(O)CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C13H12FNO4/c14-9-3-1-8(2-4-9)7-15-6-5-10(16)11(12(15)17)13(18)19/h1-4,16H,5-7H2,(H,18,19)
InChIKeyIIWNNCQTEUWZCU-UHFFFAOYSA-N
XLogP1.45
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-[(4-Fluoro-benzyl)-methyl-carbamoyl]-2-hydroxy-acrylic acid
CID 54689293
2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid
CID 2775908
(Z)-4-[5-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 56838947
(Z)-4-[5-benzyl-1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70681874
(Z)-4-[1-[(2,3-difluorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70684012
(Z)-4-[5-[(2,4-difluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70684013
(Z)-4-[5-benzyl-1-[(2,4-difluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70686125
(Z)-4-[1-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70686128
(Z)-4-[5-benzyl-1-[(2,3-difluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70686141
(Z)-4-[1,5-bis[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70688260
(Z)-4-[5-[(2,4-difluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-4-hydroxy-2-oxobut-3-enoic acid
CID 70688283
(Z)-4-[1,5-bis[(2-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70690273

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid (CID 141112554) is 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid is O=C(O)C1=C(O)CCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid?
The InChIKey is IIWNNCQTEUWZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c14-9-3-1-8(2-4-9)7-15-6-5-10(16)11(12(15)17)13(18)19/h1-4,16H,5-7H2,(H,18,19).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid?
1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid has a molecular weight of 265.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 141112554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).