5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid

C26H20F5NO3 — CID 11386269

About 5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid

5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid (PubChem CID 11386269) has the molecular formula C26H20F5NO3 and a molecular weight of 489.44 g/mol. Its IUPAC name is 5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid
• PubChem CID: 11386269
• Molecular Formula: C26H20F5NO3
• Molecular Weight: 489.44 g/mol
• Exact Mass: 489.14
• IUPAC Name: 5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid
• SMILES: Cc1ncc(C2=C(c3cc(OCc4ccc(F)cc4F)ccc3C(F)(F)F)CCC2)cc1C(=O)O
• InChI: InChI=1S/C26H20F5NO3/c1-14-21(25(33)34)9-16(12-32-14)19-3-2-4-20(19)22-11-18(7-8-23(22)26(29,30)31)35-13-15-5-6-17(27)10-24(15)28/h5-12H,2-4,13H2,1H3,(H,33,34)
• InChIKey: NGLZPUWJYXVATN-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 59.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.44
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid (CID 11386269) is 5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid.

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

The canonical SMILES for 5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid is Cc1ncc(C2=C(c3cc(OCc4ccc(F)cc4F)ccc3C(F)(F)F)CCC2)cc1C(=O)O.

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

The InChIKey is NGLZPUWJYXVATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F5NO3/c1-14-21(25(33)34)9-16(12-32-14)19-3-2-4-20(19)22-11-18(7-8-23(22)26(29,30)31)35-13-15-5-6-17(27)10-24(15)28/h5-12H,2-4,13H2,1H3,(H,33,34).

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

5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 489.44 g/mol, XLogP of 7.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[5-[(2,4-difluorophenyl)methoxy]-2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 11386269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).