2,3-difluoropyridine-4-carbaldehyde

C6H3F2NO — CID 53485593

IUPAC2,3-difluoropyridine-4-carbaldehyde
SMILESO=Cc1ccnc(F)c1F
InChIInChI=1S/C6H3F2NO/c7-5-4(3-10)1-2-9-6(5)8/h1-3H
InChIKeyDJDQNHSVEDQAMW-UHFFFAOYSA-N
MW143.09 g/mol
LogP1.17
Rot. Bonds1

About 2,3-difluoropyridine-4-carbaldehyde

2,3-difluoropyridine-4-carbaldehyde (PubChem CID 53485593) has the molecular formula C6H3F2NO and a molecular weight of 143.09 g/mol. Its IUPAC name is 2,3-difluoropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2,3-difluoropyridine-4-carbaldehyde
PubChem CID53485593
Molecular FormulaC6H3F2NO
Molecular Weight143.09 g/mol
Exact Mass143.02
IUPAC Name2,3-difluoropyridine-4-carbaldehyde
SMILESO=Cc1ccnc(F)c1F
InChIInChI=1S/C6H3F2NO/c7-5-4(3-10)1-2-9-6(5)8/h1-3H
InChIKeyDJDQNHSVEDQAMW-UHFFFAOYSA-N
XLogP1.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.09
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2,3-difluoropyridine-4-carbaldehyde 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 2,3-difluoropyridine-4-carbaldehyde?
The IUPAC name of 2,3-difluoropyridine-4-carbaldehyde (CID 53485593) is 2,3-difluoropyridine-4-carbaldehyde.
What is the SMILES notation for 2,3-difluoropyridine-4-carbaldehyde?
The canonical SMILES for 2,3-difluoropyridine-4-carbaldehyde is O=Cc1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoropyridine-4-carbaldehyde?
The InChIKey is DJDQNHSVEDQAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2NO/c7-5-4(3-10)1-2-9-6(5)8/h1-3H.
What are the key properties of 2,3-difluoropyridine-4-carbaldehyde?
2,3-difluoropyridine-4-carbaldehyde has a molecular weight of 143.09 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoropyridine-4-carbaldehyde is sourced from PubChem (CID 53485593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).