azane;2,4-dinitrophenol;hydrate

C6H9N3O6 — CID 174664401

IUPACazane;2,4-dinitrophenol;hydrate
SMILESN.O.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H4N2O5.H3N.H2O/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;;/h1-3,9H;1H3;1H2
InChIKeyOAVZKWKCVODCKH-UHFFFAOYSA-N
MW219.15 g/mol
LogP0.55
Rot. Bonds2

About azane;2,4-dinitrophenol;hydrate

azane;2,4-dinitrophenol;hydrate (PubChem CID 174664401) has the molecular formula C6H9N3O6 and a molecular weight of 219.15 g/mol. Its IUPAC name is azane;2,4-dinitrophenol;hydrate.

Molecular Properties

Compound Nameazane;2,4-dinitrophenol;hydrate
PubChem CID174664401
Molecular FormulaC6H9N3O6
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Nameazane;2,4-dinitrophenol;hydrate
SMILESN.O.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H4N2O5.H3N.H2O/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;;/h1-3,9H;1H3;1H2
InChIKeyOAVZKWKCVODCKH-UHFFFAOYSA-N
XLogP0.55
TPSA173.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 50.55
H-Bond Donors ≤ 52
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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Related Compounds

copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
acetic acid;bis(2,4-dinitrophenol)
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CID 139124088
2,4-dinitrophenol;2H-tetrazole
CID 154637642
butanoic acid;2,4-dinitrophenol
CID 175085952
bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead
CID 137178721
2,4-dinitrophenol;4-methoxy-1-oxidopyridin-1-ium
CID 139064927
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
(4-hydroxy-3-nitrophenyl)arsinic acid
CID 154085716
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
2-nitro-4-phenylphenol
CID 13447
alumane;2,4,6-trinitrophenol;hydrate
CID 173341136

Frequently Asked Questions

What is the IUPAC name of azane;2,4-dinitrophenol;hydrate?
The IUPAC name of azane;2,4-dinitrophenol;hydrate (CID 174664401) is azane;2,4-dinitrophenol;hydrate.
What is the SMILES notation for azane;2,4-dinitrophenol;hydrate?
The canonical SMILES for azane;2,4-dinitrophenol;hydrate is N.O.O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of azane;2,4-dinitrophenol;hydrate?
The InChIKey is OAVZKWKCVODCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O5.H3N.H2O/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;;/h1-3,9H;1H3;1H2.
What are the key properties of azane;2,4-dinitrophenol;hydrate?
azane;2,4-dinitrophenol;hydrate has a molecular weight of 219.15 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,4-dinitrophenol;hydrate is sourced from PubChem (CID 174664401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).