5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid

C20H23F2NO3 — CID 121447293

IUPAC5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid
SMILESCC(C)Oc1ncccc1-c1cc(F)c(C(C)CCCC(=O)O)c(F)c1
InChIInChI=1S/C20H23F2NO3/c1-12(2)26-20-15(7-5-9-23-20)14-10-16(21)19(17(22)11-14)13(3)6-4-8-18(24)25/h5,7,9-13H,4,6,8H2,1-3H3,(H,24,25)
InChIKeyHLQUZQBOXDMWAZ-UHFFFAOYSA-N
MW363.40 g/mol
LogP5.17
Rot. Bonds8

About 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid

5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid (PubChem CID 121447293) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid
PubChem CID121447293
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid
SMILESCC(C)Oc1ncccc1-c1cc(F)c(C(C)CCCC(=O)O)c(F)c1
InChIInChI=1S/C20H23F2NO3/c1-12(2)26-20-15(7-5-9-23-20)14-10-16(21)19(17(22)11-14)13(3)6-4-8-18(24)25/h5,7,9-13H,4,6,8H2,1-3H3,(H,24,25)
InChIKeyHLQUZQBOXDMWAZ-UHFFFAOYSA-N
XLogP5.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid?
The IUPAC name of 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid (CID 121447293) is 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid?
The canonical SMILES for 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid is CC(C)Oc1ncccc1-c1cc(F)c(C(C)CCCC(=O)O)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid?
The InChIKey is HLQUZQBOXDMWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO3/c1-12(2)26-20-15(7-5-9-23-20)14-10-16(21)19(17(22)11-14)13(3)6-4-8-18(24)25/h5,7,9-13H,4,6,8H2,1-3H3,(H,24,25).
What are the key properties of 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid?
5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid has a molecular weight of 363.40 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]hexanoic acid is sourced from PubChem (CID 121447293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).