5-(propoxymethyl)pyridine-2,3-dicarboxylic acid

C11H13NO5 — CID 19808277

IUPAC5-(propoxymethyl)pyridine-2,3-dicarboxylic acid
SMILESCCCOCc1cnc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C11H13NO5/c1-2-3-17-6-7-4-8(10(13)14)9(11(15)16)12-5-7/h4-5H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyOYHJMSIGUJRHHV-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.40
Rot. Bonds6

About 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid

5-(propoxymethyl)pyridine-2,3-dicarboxylic acid (PubChem CID 19808277) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(propoxymethyl)pyridine-2,3-dicarboxylic acid
PubChem CID19808277
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name5-(propoxymethyl)pyridine-2,3-dicarboxylic acid
SMILESCCCOCc1cnc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C11H13NO5/c1-2-3-17-6-7-4-8(10(13)14)9(11(15)16)12-5-7/h4-5H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyOYHJMSIGUJRHHV-UHFFFAOYSA-N
XLogP1.40
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(propoxymethyl)pyridine-2,3-dicarboxylic 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 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid?
The IUPAC name of 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid (CID 19808277) is 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid is CCCOCc1cnc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid?
The InChIKey is OYHJMSIGUJRHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-2-3-17-6-7-4-8(10(13)14)9(11(15)16)12-5-7/h4-5H,2-3,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid?
5-(propoxymethyl)pyridine-2,3-dicarboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxymethyl)pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 19808277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).