6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid

C24H18ClF2NO3 — CID 21112867

About 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid

6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid (PubChem CID 21112867) has the molecular formula C24H18ClF2NO3 and a molecular weight of 441.86 g/mol. Its IUPAC name is 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
• PubChem CID: 21112867
• Molecular Formula: C24H18ClF2NO3
• Molecular Weight: 441.86 g/mol
• Exact Mass: 441.09
• IUPAC Name: 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
• SMILES: O=C(O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3cccc(F)c3F)CCC2)n1
• InChI: InChI=1S/C24H18ClF2NO3/c25-15-10-11-22(31-13-14-4-1-7-19(26)23(14)27)18(12-15)16-5-2-6-17(16)20-8-3-9-21(28-20)24(29)30/h1,3-4,7-12H,2,5-6,13H2,(H,29,30)
• InChIKey: MGKNXKODGUXAHT-UHFFFAOYSA-N
• XLogP: 6.39
• 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	441.86
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?

The IUPAC name of 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid (CID 21112867) is 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3cccc(F)c3F)CCC2)n1.

What is the InChIKey of 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?

The InChIKey is MGKNXKODGUXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2NO3/c25-15-10-11-22(31-13-14-4-1-7-19(26)23(14)27)18(12-15)16-5-2-6-17(16)20-8-3-9-21(28-20)24(29)30/h1,3-4,7-12H,2,5-6,13H2,(H,29,30).

What are the key properties of 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid?

6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid has a molecular weight of 441.86 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 21112867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).