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

C18H14N2O4 — CID 127050363

IUPAC5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)cc(O)c1=O
InChIInChI=1S/C18H14N2O4/c21-16-11-20(10-15(17(16)22)18(23)24)9-12-3-5-13(6-4-12)14-2-1-7-19-8-14/h1-8,10-11,21H,9H2,(H,23,24)
InChIKeyKTHYNYPGJYPYGL-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.36
Rot. Bonds4

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

5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid (PubChem CID 127050363) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid
PubChem CID127050363
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)cc(O)c1=O
InChIInChI=1S/C18H14N2O4/c21-16-11-20(10-15(17(16)22)18(23)24)9-12-3-5-13(6-4-12)14-2-1-7-19-8-14/h1-8,10-11,21H,9H2,(H,23,24)
InChIKeyKTHYNYPGJYPYGL-UHFFFAOYSA-N
XLogP2.36
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid (CID 127050363) is 5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is KTHYNYPGJYPYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-16-11-20(10-15(17(16)22)18(23)24)9-12-3-5-13(6-4-12)14-2-1-7-19-8-14/h1-8,10-11,21H,9H2,(H,23,24).
What are the key properties of 5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 127050363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).