5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid

C22H21NO3 — CID 10427789

IUPAC5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid
SMILESO=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H21NO3/c24-22(25)13-7-8-14-26-21-16-19(17-9-3-1-4-10-17)15-20(23-21)18-11-5-2-6-12-18/h1-6,9-12,15-16H,7-8,13-14H2,(H,24,25)
InChIKeyWRMBYEARGLMSPC-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.05
Rot. Bonds8

About 5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid

5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid (PubChem CID 10427789) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid.

Molecular Properties

Compound Name5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid
PubChem CID10427789
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid
SMILESO=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H21NO3/c24-22(25)13-7-8-14-26-21-16-19(17-9-3-1-4-10-17)15-20(23-21)18-11-5-2-6-12-18/h1-6,9-12,15-16H,7-8,13-14H2,(H,24,25)
InChIKeyWRMBYEARGLMSPC-UHFFFAOYSA-N
XLogP5.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.05
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-diphenyl-2-pyridinyl)oxy]pentanoic acid?
The IUPAC name of 5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid (CID 10427789) is 5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid.
What is the SMILES notation for 5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid?
The canonical SMILES for 5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid is O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid?
The InChIKey is WRMBYEARGLMSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c24-22(25)13-7-8-14-26-21-16-19(17-9-3-1-4-10-17)15-20(23-21)18-11-5-2-6-12-18/h1-6,9-12,15-16H,7-8,13-14H2,(H,24,25).
What are the key properties of 5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid?
5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid has a molecular weight of 347.41 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-diphenyl-2-pyridinyl)oxy]pentanoic acid is sourced from PubChem (CID 10427789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).