2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid

C15H15NO2 — CID 117001558

IUPAC2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid
SMILESCc1ccc(C)c(-c2ccc(CC(=O)O)cn2)c1
InChIInChI=1S/C15H15NO2/c1-10-3-4-11(2)13(7-10)14-6-5-12(9-16-14)8-15(17)18/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyOZSCWOUAUQNTEH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.99
Rot. Bonds3

About 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid

2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid (PubChem CID 117001558) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid
PubChem CID117001558
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid
SMILESCc1ccc(C)c(-c2ccc(CC(=O)O)cn2)c1
InChIInChI=1S/C15H15NO2/c1-10-3-4-11(2)13(7-10)14-6-5-12(9-16-14)8-15(17)18/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyOZSCWOUAUQNTEH-UHFFFAOYSA-N
XLogP2.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic 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-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid (CID 117001558) is 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid is Cc1ccc(C)c(-c2ccc(CC(=O)O)cn2)c1.
What is the InChIKey of 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid?
The InChIKey is OZSCWOUAUQNTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-3-4-11(2)13(7-10)14-6-5-12(9-16-14)8-15(17)18/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid?
2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 117001558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).