4-amino-3,5,6-trichloropyridine-2-carbaldehyde

C6H3Cl3N2O — CID 86070350

IUPAC4-amino-3,5,6-trichloropyridine-2-carbaldehyde
SMILESNc1c(Cl)c(Cl)nc(C=O)c1Cl
InChIInChI=1S/C6H3Cl3N2O/c7-3-2(1-12)11-6(9)4(8)5(3)10/h1H,(H2,10,11)
InChIKeyHAHJTMVXYKLZNN-UHFFFAOYSA-N
MW225.46 g/mol
LogP2.44
Rot. Bonds1

About 4-amino-3,5,6-trichloropyridine-2-carbaldehyde

4-amino-3,5,6-trichloropyridine-2-carbaldehyde (PubChem CID 86070350) has the molecular formula C6H3Cl3N2O and a molecular weight of 225.46 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-3,5,6-trichloropyridine-2-carbaldehyde
PubChem CID86070350
Molecular FormulaC6H3Cl3N2O
Molecular Weight225.46 g/mol
Exact Mass223.93
IUPAC Name4-amino-3,5,6-trichloropyridine-2-carbaldehyde
SMILESNc1c(Cl)c(Cl)nc(C=O)c1Cl
InChIInChI=1S/C6H3Cl3N2O/c7-3-2(1-12)11-6(9)4(8)5(3)10/h1H,(H2,10,11)
InChIKeyHAHJTMVXYKLZNN-UHFFFAOYSA-N
XLogP2.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3,5,6-trichloropyridine-2-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 4-amino-3,5,6-trichloropyridine-2-carbaldehyde?
The IUPAC name of 4-amino-3,5,6-trichloropyridine-2-carbaldehyde (CID 86070350) is 4-amino-3,5,6-trichloropyridine-2-carbaldehyde.
What is the SMILES notation for 4-amino-3,5,6-trichloropyridine-2-carbaldehyde?
The canonical SMILES for 4-amino-3,5,6-trichloropyridine-2-carbaldehyde is Nc1c(Cl)c(Cl)nc(C=O)c1Cl.
What is the InChIKey of 4-amino-3,5,6-trichloropyridine-2-carbaldehyde?
The InChIKey is HAHJTMVXYKLZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3N2O/c7-3-2(1-12)11-6(9)4(8)5(3)10/h1H,(H2,10,11).
What are the key properties of 4-amino-3,5,6-trichloropyridine-2-carbaldehyde?
4-amino-3,5,6-trichloropyridine-2-carbaldehyde has a molecular weight of 225.46 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloropyridine-2-carbaldehyde is sourced from PubChem (CID 86070350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).