2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid

C15H15NO3 — CID 82089202

IUPAC2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-10(2)19-12-7-5-11(6-8-12)14-13(15(17)18)4-3-9-16-14/h3-10H,1-2H3,(H,17,18)
InChIKeySUMAGQXJLCZXDG-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid

2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid (PubChem CID 82089202) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
PubChem CID82089202
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-10(2)19-12-7-5-11(6-8-12)14-13(15(17)18)4-3-9-16-14/h3-10H,1-2H3,(H,17,18)
InChIKeySUMAGQXJLCZXDG-UHFFFAOYSA-N
XLogP3.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-propan-2-yloxyphenyl)pyridine-3-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 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid (CID 82089202) is 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid is CC(C)Oc1ccc(-c2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is SUMAGQXJLCZXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(2)19-12-7-5-11(6-8-12)14-13(15(17)18)4-3-9-16-14/h3-10H,1-2H3,(H,17,18).
What are the key properties of 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid?
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82089202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).