5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid

C13H10FNO4 — CID 53223404

IUPAC5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCOc1cc(-c2c[nH]c(=O)cc2C(=O)O)ccc1F
InChIInChI=1S/C13H10FNO4/c1-19-11-4-7(2-3-10(11)14)9-6-15-12(16)5-8(9)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyNNSAHDAXOFXQHK-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.89
Rot. Bonds3

About 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid

5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 53223404) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID53223404
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCOc1cc(-c2c[nH]c(=O)cc2C(=O)O)ccc1F
InChIInChI=1S/C13H10FNO4/c1-19-11-4-7(2-3-10(11)14)9-6-15-12(16)5-8(9)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyNNSAHDAXOFXQHK-UHFFFAOYSA-N
XLogP1.89
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223742
5-(2-fluoro-5-methoxycarbonylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53224135
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223813
2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid
CID 133091347
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
2-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092325
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 53222321
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164
3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol
CID 53219460

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid (CID 53223404) is 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid is COc1cc(-c2c[nH]c(=O)cc2C(=O)O)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is NNSAHDAXOFXQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c1-19-11-4-7(2-3-10(11)14)9-6-15-12(16)5-8(9)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid?
5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 53223404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).