5-formylpyridine-2-carboxylic acid

C7H5NO3 — CID 18448928

IUPAC5-formylpyridine-2-carboxylic acid
SMILESO=Cc1ccc(C(=O)O)nc1
InChIInChI=1S/C7H5NO3/c9-4-5-1-2-6(7(10)11)8-3-5/h1-4H,(H,10,11)
InChIKeyHBNWKIVJXHRLQM-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.59
Rot. Bonds2

About 5-formylpyridine-2-carboxylic acid

5-formylpyridine-2-carboxylic acid (PubChem CID 18448928) has the molecular formula C7H5NO3 and a molecular weight of 151.12 g/mol. Its IUPAC name is 5-formylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-formylpyridine-2-carboxylic acid
PubChem CID18448928
Molecular FormulaC7H5NO3
Molecular Weight151.12 g/mol
Exact Mass151.03
IUPAC Name5-formylpyridine-2-carboxylic acid
SMILESO=Cc1ccc(C(=O)O)nc1
InChIInChI=1S/C7H5NO3/c9-4-5-1-2-6(7(10)11)8-3-5/h1-4H,(H,10,11)
InChIKeyHBNWKIVJXHRLQM-UHFFFAOYSA-N
XLogP0.59
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.59
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-formylpyridine-2-carboxylic acid?
The IUPAC name of 5-formylpyridine-2-carboxylic acid (CID 18448928) is 5-formylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-formylpyridine-2-carboxylic acid?
The canonical SMILES for 5-formylpyridine-2-carboxylic acid is O=Cc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-formylpyridine-2-carboxylic acid?
The InChIKey is HBNWKIVJXHRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3/c9-4-5-1-2-6(7(10)11)8-3-5/h1-4H,(H,10,11).
What are the key properties of 5-formylpyridine-2-carboxylic acid?
5-formylpyridine-2-carboxylic acid has a molecular weight of 151.12 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formylpyridine-2-carboxylic acid is sourced from PubChem (CID 18448928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).