2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde

C13H10N2O2 — CID 145269302

IUPAC2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde
SMILESNc1ncc(-c2ccc(C=O)cc2)cc1C=O
InChIInChI=1S/C13H10N2O2/c14-13-12(8-17)5-11(6-15-13)10-3-1-9(7-16)2-4-10/h1-8H,(H2,14,15)
InChIKeyUJBZBHKICTUERN-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde

2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde (PubChem CID 145269302) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde
PubChem CID145269302
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde
SMILESNc1ncc(-c2ccc(C=O)cc2)cc1C=O
InChIInChI=1S/C13H10N2O2/c14-13-12(8-17)5-11(6-15-13)10-3-1-9(7-16)2-4-10/h1-8H,(H2,14,15)
InChIKeyUJBZBHKICTUERN-UHFFFAOYSA-N
XLogP1.96
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-(4-formylphenyl)pyridine-3-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-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde (CID 145269302) is 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde is Nc1ncc(-c2ccc(C=O)cc2)cc1C=O.
What is the InChIKey of 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde?
The InChIKey is UJBZBHKICTUERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-13-12(8-17)5-11(6-15-13)10-3-1-9(7-16)2-4-10/h1-8H,(H2,14,15).
What are the key properties of 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde?
2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde has a molecular weight of 226.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 145269302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).