3,5-dinitropyridine-2,6-diamine

C5H5N5O4 — CID 542959

IUPAC3,5-dinitropyridine-2,6-diamine
SMILESNc1nc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C5H5N5O4/c6-4-2(9(11)12)1-3(10(13)14)5(7)8-4/h1H,(H4,6,7,8)
InChIKeyZLJZDCVHRYAHAW-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.06
Rot. Bonds2

About 3,5-dinitropyridine-2,6-diamine

3,5-dinitropyridine-2,6-diamine (PubChem CID 542959) has the molecular formula C5H5N5O4 and a molecular weight of 199.13 g/mol. Its IUPAC name is 3,5-dinitropyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dinitropyridine-2,6-diamine
PubChem CID542959
Molecular FormulaC5H5N5O4
Molecular Weight199.13 g/mol
Exact Mass199.03
IUPAC Name3,5-dinitropyridine-2,6-diamine
SMILESNc1nc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C5H5N5O4/c6-4-2(9(11)12)1-3(10(13)14)5(7)8-4/h1H,(H4,6,7,8)
InChIKeyZLJZDCVHRYAHAW-UHFFFAOYSA-N
XLogP0.06
TPSA151.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

3-Nitropyridin-2-ylamine
CID 77887
2-Amino-5-nitropyridine
CID 77888
2-Amino-6-methyl-3-nitropyridine
CID 226028
6-Methyl-5-nitropyridin-2-amine
CID 247976
2-Amino-3,5-dinitropyridine
CID 504340
6-Chloro-3-nitropyridin-2-ylamine
CID 2724035
6-Nitro-2,5-pyridinediamine
CID 9815243
2,3,6-Triaminopyridine
CID 78015
Pyridine, 2-amino-6-chloro-5-nitro-
CID 3069277
2-Nitropyridin-3-amine
CID 83281
2-Amino-3-iodo-5-nitropyridine
CID 11623112
2-Amino-3,5-dinitro-6-methylpyridine
CID 285303

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitropyridine-2,6-diamine?
The IUPAC name of 3,5-dinitropyridine-2,6-diamine (CID 542959) is 3,5-dinitropyridine-2,6-diamine.
What is the SMILES notation for 3,5-dinitropyridine-2,6-diamine?
The canonical SMILES for 3,5-dinitropyridine-2,6-diamine is Nc1nc(N)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 3,5-dinitropyridine-2,6-diamine?
The InChIKey is ZLJZDCVHRYAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O4/c6-4-2(9(11)12)1-3(10(13)14)5(7)8-4/h1H,(H4,6,7,8).
What are the key properties of 3,5-dinitropyridine-2,6-diamine?
3,5-dinitropyridine-2,6-diamine has a molecular weight of 199.13 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitropyridine-2,6-diamine is sourced from PubChem (CID 542959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).