2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid

C17H19NO2 — CID 68887277

IUPAC2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(-c2ccc(C)nc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-4-16(17(19)20)14-9-7-13(8-10-14)15-6-5-12(2)18-11-15/h5-11,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyLSFDUIYPZZHETK-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.03
Rot. Bonds5

About 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid

2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid (PubChem CID 68887277) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid
PubChem CID68887277
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(-c2ccc(C)nc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-4-16(17(19)20)14-9-7-13(8-10-14)15-6-5-12(2)18-11-15/h5-11,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyLSFDUIYPZZHETK-UHFFFAOYSA-N
XLogP4.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic 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 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid?
The IUPAC name of 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid (CID 68887277) is 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid.
What is the SMILES notation for 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid?
The canonical SMILES for 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid is CCCC(C(=O)O)c1ccc(-c2ccc(C)nc2)cc1.
What is the InChIKey of 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid?
The InChIKey is LSFDUIYPZZHETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-4-16(17(19)20)14-9-7-13(8-10-14)15-6-5-12(2)18-11-15/h5-11,16H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid?
2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid has a molecular weight of 269.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid is sourced from PubChem (CID 68887277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).