3-(2,5-diethylphenyl)pyridine-2-carboxylic acid

C16H17NO2 — CID 107525268

IUPAC3-(2,5-diethylphenyl)pyridine-2-carboxylic acid
SMILESCCc1ccc(CC)c(-c2cccnc2C(=O)O)c1
InChIInChI=1S/C16H17NO2/c1-3-11-7-8-12(4-2)14(10-11)13-6-5-9-17-15(13)16(18)19/h5-10H,3-4H2,1-2H3,(H,18,19)
InChIKeyLVHJDLXETJSQMO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.57
Rot. Bonds4

About 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid

3-(2,5-diethylphenyl)pyridine-2-carboxylic acid (PubChem CID 107525268) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-diethylphenyl)pyridine-2-carboxylic acid
PubChem CID107525268
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(2,5-diethylphenyl)pyridine-2-carboxylic acid
SMILESCCc1ccc(CC)c(-c2cccnc2C(=O)O)c1
InChIInChI=1S/C16H17NO2/c1-3-11-7-8-12(4-2)14(10-11)13-6-5-9-17-15(13)16(18)19/h5-10H,3-4H2,1-2H3,(H,18,19)
InChIKeyLVHJDLXETJSQMO-UHFFFAOYSA-N
XLogP3.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-diethylphenyl)pyridine-2-carboxylic 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 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid (CID 107525268) is 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid is CCc1ccc(CC)c(-c2cccnc2C(=O)O)c1.
What is the InChIKey of 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid?
The InChIKey is LVHJDLXETJSQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-11-7-8-12(4-2)14(10-11)13-6-5-9-17-15(13)16(18)19/h5-10H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid?
3-(2,5-diethylphenyl)pyridine-2-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diethylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 107525268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).