5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid

C22H19NO4 — CID 58067801

About 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 58067801) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid
• PubChem CID: 58067801
• Molecular Formula: C22H19NO4
• Molecular Weight: 361.40 g/mol
• Exact Mass: 361.13
• IUPAC Name: 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1cn(CC2(c3ccccc3)Cc3ccccc3C2)cc(O)c1=O
• InChI: InChI=1S/C22H19NO4/c24-19-13-23(12-18(20(19)25)21(26)27)14-22(17-8-2-1-3-9-17)10-15-6-4-5-7-16(15)11-22/h1-9,12-13,24H,10-11,14H2,(H,26,27)
• InChIKey: ZFTLMGQNFSHTSH-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 79.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.40
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid?

The IUPAC name of 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid (CID 58067801) is 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccccc3)Cc3ccccc3C2)cc(O)c1=O.

What is the InChIKey of 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid?

The InChIKey is ZFTLMGQNFSHTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-19-13-23(12-18(20(19)25)21(26)27)14-22(17-8-2-1-3-9-17)10-15-6-4-5-7-16(15)11-22/h1-9,12-13,24H,10-11,14H2,(H,26,27).

What are the key properties of 5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid?

5-hydroxy-4-oxo-1-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 361.40 g/mol, XLogP of 2.99, 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-[(2-phenyl-1,3-dihydroinden-2-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58067801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).