2-ethyl-6-phenylpyridine-3-carboxylic acid

C14H13NO2 — CID 91810897

IUPAC2-ethyl-6-phenylpyridine-3-carboxylic acid
SMILESCCc1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C14H13NO2/c1-2-12-11(14(16)17)8-9-13(15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17)
InChIKeyDLTLOOWNZMOCJG-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.01
Rot. Bonds3

About 2-ethyl-6-phenylpyridine-3-carboxylic acid

2-ethyl-6-phenylpyridine-3-carboxylic acid (PubChem CID 91810897) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-ethyl-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-phenylpyridine-3-carboxylic acid
PubChem CID91810897
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-ethyl-6-phenylpyridine-3-carboxylic acid
SMILESCCc1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C14H13NO2/c1-2-12-11(14(16)17)8-9-13(15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17)
InChIKeyDLTLOOWNZMOCJG-UHFFFAOYSA-N
XLogP3.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-6-phenylpyridine-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-ethyl-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-6-phenylpyridine-3-carboxylic acid (CID 91810897) is 2-ethyl-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-6-phenylpyridine-3-carboxylic acid is CCc1nc(-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-6-phenylpyridine-3-carboxylic acid?
The InChIKey is DLTLOOWNZMOCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-12-11(14(16)17)8-9-13(15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 2-ethyl-6-phenylpyridine-3-carboxylic acid?
2-ethyl-6-phenylpyridine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 91810897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).