5-nitropyridine-3,4-diamine

C5H6N4O2 — CID 3370517

IUPAC5-nitropyridine-3,4-diamine
SMILESNc1cncc([N+](=O)[O-])c1N
InChIInChI=1S/C5H6N4O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,6H2,(H2,7,8)
InChIKeyOMUADEPNIQXNRG-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.15
Rot. Bonds1

About 5-nitropyridine-3,4-diamine

5-nitropyridine-3,4-diamine (PubChem CID 3370517) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 5-nitropyridine-3,4-diamine.

Molecular Properties

Compound Name5-nitropyridine-3,4-diamine
PubChem CID3370517
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name5-nitropyridine-3,4-diamine
SMILESNc1cncc([N+](=O)[O-])c1N
InChIInChI=1S/C5H6N4O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,6H2,(H2,7,8)
InChIKeyOMUADEPNIQXNRG-UHFFFAOYSA-N
XLogP0.15
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-nitropyridine-3,4-diamine?
The IUPAC name of 5-nitropyridine-3,4-diamine (CID 3370517) is 5-nitropyridine-3,4-diamine.
What is the SMILES notation for 5-nitropyridine-3,4-diamine?
The canonical SMILES for 5-nitropyridine-3,4-diamine is Nc1cncc([N+](=O)[O-])c1N.
What is the InChIKey of 5-nitropyridine-3,4-diamine?
The InChIKey is OMUADEPNIQXNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,6H2,(H2,7,8).
What are the key properties of 5-nitropyridine-3,4-diamine?
5-nitropyridine-3,4-diamine has a molecular weight of 154.13 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitropyridine-3,4-diamine is sourced from PubChem (CID 3370517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).