5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine

C10H10I2N6O2 — CID 157167829

IUPAC5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine
SMILESNc1cc(I)cnc1N.Nc1ncc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C5H4IN3O2.C5H6IN3/c6-3-1-4(9(10)11)5(7)8-2-3;6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,7,8);1-2H,7H2,(H2,8,9)
InChIKeyANCWAGCATXOPJK-UHFFFAOYSA-N
MW500.04 g/mol
LogP2.03
Rot. Bonds1

About 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine

5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine (PubChem CID 157167829) has the molecular formula C10H10I2N6O2 and a molecular weight of 500.04 g/mol. Its IUPAC name is 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine.

Molecular Properties

Compound Name5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine
PubChem CID157167829
Molecular FormulaC10H10I2N6O2
Molecular Weight500.04 g/mol
Exact Mass499.90
IUPAC Name5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine
SMILESNc1cc(I)cnc1N.Nc1ncc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C5H4IN3O2.C5H6IN3/c6-3-1-4(9(10)11)5(7)8-2-3;6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,7,8);1-2H,7H2,(H2,8,9)
InChIKeyANCWAGCATXOPJK-UHFFFAOYSA-N
XLogP2.03
TPSA146.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.04
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine?
The IUPAC name of 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine (CID 157167829) is 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine.
What is the SMILES notation for 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine?
The canonical SMILES for 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine is Nc1cc(I)cnc1N.Nc1ncc(I)cc1[N+](=O)[O-].
What is the InChIKey of 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine?
The InChIKey is ANCWAGCATXOPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN3O2.C5H6IN3/c6-3-1-4(9(10)11)5(7)8-2-3;6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,7,8);1-2H,7H2,(H2,8,9).
What are the key properties of 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine?
5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine has a molecular weight of 500.04 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-nitropyridin-2-amine;5-iodopyridine-2,3-diamine is sourced from PubChem (CID 157167829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).