6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid

C26H21ClF3NO3 — CID 68931165

About 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid

6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid (PubChem CID 68931165) has the molecular formula C26H21ClF3NO3 and a molecular weight of 487.91 g/mol. Its IUPAC name is 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid
• PubChem CID: 68931165
• Molecular Formula: C26H21ClF3NO3
• Molecular Weight: 487.91 g/mol
• Exact Mass: 487.12
• IUPAC Name: 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid
• SMILES: Cc1ccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(Cl)cc3)CCC2)nc1C(=O)O
• InChI: InChI=1S/C26H21ClF3NO3/c1-15-5-11-22(31-24(15)25(32)33)20-4-2-3-19(20)21-13-17(26(28,29)30)8-12-23(21)34-14-16-6-9-18(27)10-7-16/h5-13H,2-4,14H2,1H3,(H,32,33)
• InChIKey: FCZLHCXYXADXEW-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 59.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.91
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid?

The IUPAC name of 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid (CID 68931165) is 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid.

What is the SMILES notation for 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid?

The canonical SMILES for 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid is Cc1ccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(Cl)cc3)CCC2)nc1C(=O)O.

What is the InChIKey of 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid?

The InChIKey is FCZLHCXYXADXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3NO3/c1-15-5-11-22(31-24(15)25(32)33)20-4-2-3-19(20)21-13-17(26(28,29)30)8-12-23(21)34-14-16-6-9-18(27)10-7-16/h5-13H,2-4,14H2,1H3,(H,32,33).

What are the key properties of 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid?

6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid has a molecular weight of 487.91 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 68931165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).