6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid

C14H11NO4 — CID 117212805

IUPAC6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid
SMILESCc1ccccc1OC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H11NO4/c1-9-5-2-3-8-12(9)19-14(18)11-7-4-6-10(15-11)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeyZWMMYAYOHHHMLB-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.31
Rot. Bonds3

About 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid

6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid (PubChem CID 117212805) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid
PubChem CID117212805
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid
SMILESCc1ccccc1OC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H11NO4/c1-9-5-2-3-8-12(9)19-14(18)11-7-4-6-10(15-11)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeyZWMMYAYOHHHMLB-UHFFFAOYSA-N
XLogP2.31
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 6-(2-methylphenoxy)carbonylpyridine-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 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid?
The IUPAC name of 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid (CID 117212805) is 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid is Cc1ccccc1OC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid?
The InChIKey is ZWMMYAYOHHHMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-9-5-2-3-8-12(9)19-14(18)11-7-4-6-10(15-11)13(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid?
6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 117212805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).