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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Related Compounds

4-fluoro-5-iodo-3-nitropyridin-2-amine
CID 135394926
3-(6-amino-5-nitro-3-pyridinyl)prop-2-enal
CID 169459475
3-nitro-5-pyridin-2-ylpyridin-2-amine
CID 20556183
5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine
CID 169462186
2-chloro-5-iodo-4-nitropyridine
CID 131211540
methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
CID 143984971
5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine
CID 138978655
5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine
CID 11357014
3-nitro-5-piperidin-2-ylpyridin-2-amine
CID 142970539
[4-(6-amino-5-nitro-3-pyridinyl)piperazin-1-yl]-methylborinic acid
CID 140732466
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
5-iodo-4-nitro-2-(trifluoromethyl)pyridine
CID 130782981

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).