5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid

C24H18F2N2O3 — CID 58854342

About 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid

5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid (PubChem CID 58854342) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 58854342
• Molecular Formula: C24H18F2N2O3
• Molecular Weight: 420.42 g/mol
• Exact Mass: 420.13
• IUPAC Name: 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid
• SMILES: Cc1ccc(-c2ccccc2OCc2ccc(F)cc2F)n1-c1cncc(C(=O)O)c1
• InChI: InChI=1S/C24H18F2N2O3/c1-15-6-9-22(28(15)19-10-17(24(29)30)12-27-13-19)20-4-2-3-5-23(20)31-14-16-7-8-18(25)11-21(16)26/h2-13H,14H2,1H3,(H,29,30)
• InChIKey: KWLYTLGOTSBCOK-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 64.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.42
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid (CID 58854342) is 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid is Cc1ccc(-c2ccccc2OCc2ccc(F)cc2F)n1-c1cncc(C(=O)O)c1.

What is the InChIKey of 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid?

The InChIKey is KWLYTLGOTSBCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3/c1-15-6-9-22(28(15)19-10-17(24(29)30)12-27-13-19)20-4-2-3-5-23(20)31-14-16-7-8-18(25)11-21(16)26/h2-13H,14H2,1H3,(H,29,30).

What are the key properties of 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid?

5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 420.42 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58854342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).