5-(4-formylphenyl)pyridine-3-carboxylic acid

C13H9NO3 — CID 2794617

IUPAC5-(4-formylphenyl)pyridine-3-carboxylic acid
SMILESO=Cc1ccc(-c2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C13H9NO3/c15-8-9-1-3-10(4-2-9)11-5-12(13(16)17)7-14-6-11/h1-8H,(H,16,17)
InChIKeyHXYMSAUBDZGIRE-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.26
Rot. Bonds3

About 5-(4-formylphenyl)pyridine-3-carboxylic acid

5-(4-formylphenyl)pyridine-3-carboxylic acid (PubChem CID 2794617) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-(4-formylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-formylphenyl)pyridine-3-carboxylic acid
PubChem CID2794617
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name5-(4-formylphenyl)pyridine-3-carboxylic acid
SMILESO=Cc1ccc(-c2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C13H9NO3/c15-8-9-1-3-10(4-2-9)11-5-12(13(16)17)7-14-6-11/h1-8H,(H,16,17)
InChIKeyHXYMSAUBDZGIRE-UHFFFAOYSA-N
XLogP2.26
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-formylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-formylphenyl)pyridine-3-carboxylic acid (CID 2794617) is 5-(4-formylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-formylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-formylphenyl)pyridine-3-carboxylic acid is O=Cc1ccc(-c2cncc(C(=O)O)c2)cc1.
What is the InChIKey of 5-(4-formylphenyl)pyridine-3-carboxylic acid?
The InChIKey is HXYMSAUBDZGIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-8-9-1-3-10(4-2-9)11-5-12(13(16)17)7-14-6-11/h1-8H,(H,16,17).
What are the key properties of 5-(4-formylphenyl)pyridine-3-carboxylic acid?
5-(4-formylphenyl)pyridine-3-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 2794617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).