5-iodopyridin-2-amine;dihydroiodide

C5H7I3N2 — CID 139830080

IUPAC5-iodopyridin-2-amine;dihydroiodide
SMILESI.I.Nc1ccc(I)cn1
InChIInChI=1S/C5H5IN2.2HI/c6-4-1-2-5(7)8-3-4;;/h1-3H,(H2,7,8);2*1H
InChIKeyOKROVDHWHWXKBY-UHFFFAOYSA-N
MW475.84 g/mol
LogP2.50
Rot. Bonds

About 5-iodopyridin-2-amine;dihydroiodide

5-iodopyridin-2-amine;dihydroiodide (PubChem CID 139830080) has the molecular formula C5H7I3N2 and a molecular weight of 475.84 g/mol. Its IUPAC name is 5-iodopyridin-2-amine;dihydroiodide.

Molecular Properties

Compound Name5-iodopyridin-2-amine;dihydroiodide
PubChem CID139830080
Molecular FormulaC5H7I3N2
Molecular Weight475.84 g/mol
Exact Mass475.77
IUPAC Name5-iodopyridin-2-amine;dihydroiodide
SMILESI.I.Nc1ccc(I)cn1
InChIInChI=1S/C5H5IN2.2HI/c6-4-1-2-5(7)8-3-4;;/h1-3H,(H2,7,8);2*1H
InChIKeyOKROVDHWHWXKBY-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.84
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodopyridin-2-amine;dihydroiodide 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 5-iodopyridin-2-amine;dihydroiodide?
The IUPAC name of 5-iodopyridin-2-amine;dihydroiodide (CID 139830080) is 5-iodopyridin-2-amine;dihydroiodide.
What is the SMILES notation for 5-iodopyridin-2-amine;dihydroiodide?
The canonical SMILES for 5-iodopyridin-2-amine;dihydroiodide is I.I.Nc1ccc(I)cn1.
What is the InChIKey of 5-iodopyridin-2-amine;dihydroiodide?
The InChIKey is OKROVDHWHWXKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2.2HI/c6-4-1-2-5(7)8-3-4;;/h1-3H,(H2,7,8);2*1H.
What are the key properties of 5-iodopyridin-2-amine;dihydroiodide?
5-iodopyridin-2-amine;dihydroiodide has a molecular weight of 475.84 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodopyridin-2-amine;dihydroiodide is sourced from PubChem (CID 139830080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).