3,5-dinitropyridin-2-amine

C5H4N4O4 — CID 504340

IUPAC3,5-dinitropyridin-2-amine
SMILESNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C5H4N4O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H,(H2,6,7)
InChIKeyQNZDCKBBTJYQDT-UHFFFAOYSA-N
MW184.11 g/mol
LogP0.48
Rot. Bonds2

About 3,5-dinitropyridin-2-amine

3,5-dinitropyridin-2-amine (PubChem CID 504340) has the molecular formula C5H4N4O4 and a molecular weight of 184.11 g/mol. Its IUPAC name is 3,5-dinitropyridin-2-amine.

Molecular Properties

Compound Name3,5-dinitropyridin-2-amine
PubChem CID504340
Molecular FormulaC5H4N4O4
Molecular Weight184.11 g/mol
Exact Mass184.02
IUPAC Name3,5-dinitropyridin-2-amine
SMILESNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C5H4N4O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H,(H2,6,7)
InChIKeyQNZDCKBBTJYQDT-UHFFFAOYSA-N
XLogP0.48
TPSA125.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3,5-dinitropyridin-2-amine?
The IUPAC name of 3,5-dinitropyridin-2-amine (CID 504340) is 3,5-dinitropyridin-2-amine.
What is the SMILES notation for 3,5-dinitropyridin-2-amine?
The canonical SMILES for 3,5-dinitropyridin-2-amine is Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 3,5-dinitropyridin-2-amine?
The InChIKey is QNZDCKBBTJYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H,(H2,6,7).
What are the key properties of 3,5-dinitropyridin-2-amine?
3,5-dinitropyridin-2-amine has a molecular weight of 184.11 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitropyridin-2-amine is sourced from PubChem (CID 504340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).