5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid

C24H18Cl2FNO3 — CID 10217107

About 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid

5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid (PubChem CID 10217107) has the molecular formula C24H18Cl2FNO3 and a molecular weight of 458.32 g/mol. Its IUPAC name is 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 10217107
• Molecular Formula: C24H18Cl2FNO3
• Molecular Weight: 458.32 g/mol
• Exact Mass: 457.06
• IUPAC Name: 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1cncc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3F)CCC2)c1
• InChI: InChI=1S/C24H18Cl2FNO3/c25-17-6-7-23(31-13-14-4-5-18(26)10-22(14)27)21(9-17)20-3-1-2-19(20)15-8-16(24(29)30)12-28-11-15/h4-12H,1-3,13H2,(H,29,30)
• InChIKey: LNIXWHQLPRKXLD-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 59.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.32
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid (CID 10217107) is 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(C2=C(c3cc(Cl)ccc3OCc3ccc(Cl)cc3F)CCC2)c1.

What is the InChIKey of 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid?

The InChIKey is LNIXWHQLPRKXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FNO3/c25-17-6-7-23(31-13-14-4-5-18(26)10-22(14)27)21(9-17)20-3-1-2-19(20)15-8-16(24(29)30)12-28-11-15/h4-12H,1-3,13H2,(H,29,30).

What are the key properties of 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid?

5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid has a molecular weight of 458.32 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 10217107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).