6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid

C29H24FNO4 — CID 58840951

About 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid

6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid (PubChem CID 58840951) has the molecular formula C29H24FNO4 and a molecular weight of 469.51 g/mol. Its IUPAC name is 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid
• PubChem CID: 58840951
• Molecular Formula: C29H24FNO4
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.17
• IUPAC Name: 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid
• SMILES: Cc1ccccc1COc1cc(/C=C/c2ccc(C(=O)O)cn2)cc(OCc2ccccc2F)c1
• InChI: InChI=1S/C29H24FNO4/c1-20-6-2-3-7-23(20)18-34-26-14-21(10-12-25-13-11-22(17-31-25)29(32)33)15-27(16-26)35-19-24-8-4-5-9-28(24)30/h2-17H,18-19H2,1H3,(H,32,33)/b12-10+
• InChIKey: XGSYDXRLKHUEHG-ZRDIBKRKSA-N
• XLogP: 6.56
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid?

The IUPAC name of 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid (CID 58840951) is 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid is Cc1ccccc1COc1cc(/C=C/c2ccc(C(=O)O)cn2)cc(OCc2ccccc2F)c1.

What is the InChIKey of 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid?

The InChIKey is XGSYDXRLKHUEHG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C29H24FNO4/c1-20-6-2-3-7-23(20)18-34-26-14-21(10-12-25-13-11-22(17-31-25)29(32)33)15-27(16-26)35-19-24-8-4-5-9-28(24)30/h2-17H,18-19H2,1H3,(H,32,33)/b12-10+.

What are the key properties of 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid?

6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid has a molecular weight of 469.51 g/mol, XLogP of 6.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58840951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).