ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate

C26H22ClF2NO3 — CID 58887622

About ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate

ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate (PubChem CID 58887622) has the molecular formula C26H22ClF2NO3 and a molecular weight of 469.92 g/mol. Its IUPAC name is ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate
• PubChem CID: 58887622
• Molecular Formula: C26H22ClF2NO3
• Molecular Weight: 469.92 g/mol
• Exact Mass: 469.13
• IUPAC Name: ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1cncc(C2=C(c3cc(Cl)ccc3OCc3ccc(F)cc3F)CCC2)c1
• InChI: InChI=1S/C26H22ClF2NO3/c1-2-32-26(31)18-10-17(13-30-14-18)21-4-3-5-22(21)23-11-19(27)7-9-25(23)33-15-16-6-8-20(28)12-24(16)29/h6-14H,2-5,15H2,1H3
• InChIKey: GFPXHMDXCZLNEI-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 48.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.92
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate?

The IUPAC name of ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate (CID 58887622) is ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate?

The canonical SMILES for ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cncc(C2=C(c3cc(Cl)ccc3OCc3ccc(F)cc3F)CCC2)c1.

What is the InChIKey of ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate?

The InChIKey is GFPXHMDXCZLNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2NO3/c1-2-32-26(31)18-10-17(13-30-14-18)21-4-3-5-22(21)23-11-19(27)7-9-25(23)33-15-16-6-8-20(28)12-24(16)29/h6-14H,2-5,15H2,1H3.

What are the key properties of ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate?

ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate has a molecular weight of 469.92 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 58887622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).