5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid

C19H15NO4 — CID 58067669

IUPAC5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)cc(O)c1=O
InChIInChI=1S/C19H15NO4/c21-17-12-20(11-16(18(17)22)19(23)24)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,11-12,21H,10H2,(H,23,24)
InChIKeyHXKLQMLVVNJMCF-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.97
Rot. Bonds4

About 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid (PubChem CID 58067669) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid
PubChem CID58067669
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)cc(O)c1=O
InChIInChI=1S/C19H15NO4/c21-17-12-20(11-16(18(17)22)19(23)24)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,11-12,21H,10H2,(H,23,24)
InChIKeyHXKLQMLVVNJMCF-UHFFFAOYSA-N
XLogP2.97
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid (CID 58067669) is 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is HXKLQMLVVNJMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-17-12-20(11-16(18(17)22)19(23)24)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,11-12,21H,10H2,(H,23,24).
What are the key properties of 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58067669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).