2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid

C18H12ClNO3 — CID 59585000

IUPAC2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2)nc1Oc1ccccc1Cl
InChIInChI=1S/C18H12ClNO3/c19-14-8-4-5-9-16(14)23-17-13(18(21)22)10-11-15(20-17)12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChIKeyDOKBQJJDBPBORI-UHFFFAOYSA-N
MW325.75 g/mol
LogP4.89
Rot. Bonds4

About 2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid

2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid (PubChem CID 59585000) has the molecular formula C18H12ClNO3 and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid
PubChem CID59585000
Molecular FormulaC18H12ClNO3
Molecular Weight325.75 g/mol
Exact Mass325.05
IUPAC Name2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2)nc1Oc1ccccc1Cl
InChIInChI=1S/C18H12ClNO3/c19-14-8-4-5-9-16(14)23-17-13(18(21)22)10-11-15(20-17)12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChIKeyDOKBQJJDBPBORI-UHFFFAOYSA-N
XLogP4.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenoxy)-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-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid (CID 59585000) is 2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccccc2)nc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid?
The InChIKey is DOKBQJJDBPBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO3/c19-14-8-4-5-9-16(14)23-17-13(18(21)22)10-11-15(20-17)12-6-2-1-3-7-12/h1-11H,(H,21,22).
What are the key properties of 2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid?
2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid has a molecular weight of 325.75 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 59585000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).