3-iodo-5-nitropyridin-2-amine

C5H4IN3O2 — CID 11623112

IUPAC3-iodo-5-nitropyridin-2-amine
SMILESNc1ncc([N+](=O)[O-])cc1I
InChIInChI=1S/C5H4IN3O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,(H2,7,8)
InChIKeyFEADVZZIWYNCBF-UHFFFAOYSA-N
MW265.01 g/mol
LogP1.18
Rot. Bonds1

About 3-iodo-5-nitropyridin-2-amine

3-iodo-5-nitropyridin-2-amine (PubChem CID 11623112) has the molecular formula C5H4IN3O2 and a molecular weight of 265.01 g/mol. Its IUPAC name is 3-iodo-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-iodo-5-nitropyridin-2-amine
PubChem CID11623112
Molecular FormulaC5H4IN3O2
Molecular Weight265.01 g/mol
Exact Mass264.93
IUPAC Name3-iodo-5-nitropyridin-2-amine
SMILESNc1ncc([N+](=O)[O-])cc1I
InChIInChI=1S/C5H4IN3O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,(H2,7,8)
InChIKeyFEADVZZIWYNCBF-UHFFFAOYSA-N
XLogP1.18
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.01
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-iodo-5-nitropyridin-2-amine 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 3-iodo-5-nitropyridin-2-amine?
The IUPAC name of 3-iodo-5-nitropyridin-2-amine (CID 11623112) is 3-iodo-5-nitropyridin-2-amine.
What is the SMILES notation for 3-iodo-5-nitropyridin-2-amine?
The canonical SMILES for 3-iodo-5-nitropyridin-2-amine is Nc1ncc([N+](=O)[O-])cc1I.
What is the InChIKey of 3-iodo-5-nitropyridin-2-amine?
The InChIKey is FEADVZZIWYNCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN3O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,(H2,7,8).
What are the key properties of 3-iodo-5-nitropyridin-2-amine?
3-iodo-5-nitropyridin-2-amine has a molecular weight of 265.01 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-nitropyridin-2-amine is sourced from PubChem (CID 11623112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).