5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid

C22H25F2NO3 — CID 121447306

IUPAC5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid
SMILESCC(CCCC(=O)O)c1c(F)cc(-c2cccnc2OC2CCCC2)cc1F
InChIInChI=1S/C22H25F2NO3/c1-14(6-4-10-20(26)27)21-18(23)12-15(13-19(21)24)17-9-5-11-25-22(17)28-16-7-2-3-8-16/h5,9,11-14,16H,2-4,6-8,10H2,1H3,(H,26,27)
InChIKeyUZYVNGWVKHZQIX-UHFFFAOYSA-N
MW389.44 g/mol
LogP5.71
Rot. Bonds8

About 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid

5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid (PubChem CID 121447306) has the molecular formula C22H25F2NO3 and a molecular weight of 389.44 g/mol. Its IUPAC name is 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid.

Molecular Properties

Compound Name5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid
PubChem CID121447306
Molecular FormulaC22H25F2NO3
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC Name5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid
SMILESCC(CCCC(=O)O)c1c(F)cc(-c2cccnc2OC2CCCC2)cc1F
InChIInChI=1S/C22H25F2NO3/c1-14(6-4-10-20(26)27)21-18(23)12-15(13-19(21)24)17-9-5-11-25-22(17)28-16-7-2-3-8-16/h5,9,11-14,16H,2-4,6-8,10H2,1H3,(H,26,27)
InChIKeyUZYVNGWVKHZQIX-UHFFFAOYSA-N
XLogP5.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid?
The IUPAC name of 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid (CID 121447306) is 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid.
What is the SMILES notation for 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid?
The canonical SMILES for 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid is CC(CCCC(=O)O)c1c(F)cc(-c2cccnc2OC2CCCC2)cc1F.
What is the InChIKey of 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid?
The InChIKey is UZYVNGWVKHZQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO3/c1-14(6-4-10-20(26)27)21-18(23)12-15(13-19(21)24)17-9-5-11-25-22(17)28-16-7-2-3-8-16/h5,9,11-14,16H,2-4,6-8,10H2,1H3,(H,26,27).
What are the key properties of 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid?
5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid has a molecular weight of 389.44 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid is sourced from PubChem (CID 121447306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).