2-diazonio-4,6-dinitrophenolate

C6H2N4O5 — CID 5463880

IUPAC2-diazonio-4,6-dinitrophenolate
SMILESN#[N+]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C6H2N4O5/c7-8-4-1-3(9(12)13)2-5(6(4)11)10(14)15/h1-2H
InChIKeyIUKSYUOJRHDWRR-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.06
Rot. Bonds2

About 2-diazonio-4,6-dinitrophenolate

2-diazonio-4,6-dinitrophenolate (PubChem CID 5463880) has the molecular formula C6H2N4O5 and a molecular weight of 210.11 g/mol. Its IUPAC name is 2-diazonio-4,6-dinitrophenolate.

Molecular Properties

Compound Name2-diazonio-4,6-dinitrophenolate
PubChem CID5463880
Molecular FormulaC6H2N4O5
Molecular Weight210.11 g/mol
Exact Mass210.00
IUPAC Name2-diazonio-4,6-dinitrophenolate
SMILESN#[N+]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C6H2N4O5/c7-8-4-1-3(9(12)13)2-5(6(4)11)10(14)15/h1-2H
InChIKeyIUKSYUOJRHDWRR-UHFFFAOYSA-N
XLogP1.06
TPSA137.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', '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

2,4-Dinitrophenol
CID 1493
Picric Acid
CID 6954
2-Amino-4-Nitrophenol
CID 3613389
Picramic Acid
CID 4921319
4-Amino-2-Nitrophenol
CID 3417419
2,6-Dinitrophenol
CID 11312
2,4-Dinitroanisole
CID 8385
Lead styphnate
CID 61789
2,4,6-Trinitroanisole
CID 11817
Sodium 2-nitrophenolate
CID 69985
Ammonium Picrate
CID 8577
Styphnic acid
CID 6721

Frequently Asked Questions

What is the IUPAC name of 2-diazonio-4,6-dinitrophenolate?
The IUPAC name of 2-diazonio-4,6-dinitrophenolate (CID 5463880) is 2-diazonio-4,6-dinitrophenolate.
What is the SMILES notation for 2-diazonio-4,6-dinitrophenolate?
The canonical SMILES for 2-diazonio-4,6-dinitrophenolate is N#[N+]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-].
What is the InChIKey of 2-diazonio-4,6-dinitrophenolate?
The InChIKey is IUKSYUOJRHDWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N4O5/c7-8-4-1-3(9(12)13)2-5(6(4)11)10(14)15/h1-2H.
What are the key properties of 2-diazonio-4,6-dinitrophenolate?
2-diazonio-4,6-dinitrophenolate has a molecular weight of 210.11 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazonio-4,6-dinitrophenolate is sourced from PubChem (CID 5463880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).