5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid

C21H23F2NO3 — CID 121447265

IUPAC5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1c(F)cc(-c2cccc(OC3CCCC3)n2)cc1F
InChIInChI=1S/C21H23F2NO3/c22-17-12-14(13-18(23)16(17)8-3-4-11-21(25)26)19-9-5-10-20(24-19)27-15-6-1-2-7-15/h5,9-10,12-13,15H,1-4,6-8,11H2,(H,25,26)
InChIKeyBYIRYGJWJOXIHX-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.15
Rot. Bonds8

About 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid

5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid (PubChem CID 121447265) has the molecular formula C21H23F2NO3 and a molecular weight of 375.42 g/mol. Its IUPAC name is 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid
PubChem CID121447265
Molecular FormulaC21H23F2NO3
Molecular Weight375.42 g/mol
Exact Mass375.16
IUPAC Name5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1c(F)cc(-c2cccc(OC3CCCC3)n2)cc1F
InChIInChI=1S/C21H23F2NO3/c22-17-12-14(13-18(23)16(17)8-3-4-11-21(25)26)19-9-5-10-20(24-19)27-15-6-1-2-7-15/h5,9-10,12-13,15H,1-4,6-8,11H2,(H,25,26)
InChIKeyBYIRYGJWJOXIHX-UHFFFAOYSA-N
XLogP5.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
The IUPAC name of 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid (CID 121447265) is 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
The canonical SMILES for 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid is O=C(O)CCCCc1c(F)cc(-c2cccc(OC3CCCC3)n2)cc1F.
What is the InChIKey of 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
The InChIKey is BYIRYGJWJOXIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO3/c22-17-12-14(13-18(23)16(17)8-3-4-11-21(25)26)19-9-5-10-20(24-19)27-15-6-1-2-7-15/h5,9-10,12-13,15H,1-4,6-8,11H2,(H,25,26).
What are the key properties of 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid?
5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid has a molecular weight of 375.42 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-cyclopentyloxy-2-pyridinyl)-2,6-difluorophenyl]pentanoic acid is sourced from PubChem (CID 121447265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).