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

C26H22ClF2NO3 — CID 11488228

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

5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid (PubChem CID 11488228) has the molecular formula C26H22ClF2NO3 and a molecular weight of 469.92 g/mol. Its IUPAC name is 5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid
• PubChem CID: 11488228
• Molecular Formula: C26H22ClF2NO3
• Molecular Weight: 469.92 g/mol
• Exact Mass: 469.13
• IUPAC Name: 5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid
• SMILES: CCc1ncc(C2=C(c3cc(OCc4ccc(F)cc4F)ccc3Cl)CCC2)cc1C(=O)O
• InChI: InChI=1S/C26H22ClF2NO3/c1-2-25-22(26(31)32)10-16(13-30-25)19-4-3-5-20(19)21-12-18(8-9-23(21)27)33-14-15-6-7-17(28)11-24(15)29/h6-13H,2-5,14H2,1H3,(H,31,32)
• InChIKey: QIUDVBAKZSGNCZ-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 59.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.92
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid (CID 11488228) is 5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid.

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

The canonical SMILES for 5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid is CCc1ncc(C2=C(c3cc(OCc4ccc(F)cc4F)ccc3Cl)CCC2)cc1C(=O)O.

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

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

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

5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid has a molecular weight of 469.92 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 11488228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).