2,6-diamino-4-nitrosophenol

C6H7N3O2 — CID 88887734

IUPAC2,6-diamino-4-nitrosophenol
SMILESNc1cc(N=O)cc(N)c1O
InChIInChI=1S/C6H7N3O2/c7-4-1-3(9-11)2-5(8)6(4)10/h1-2,10H,7-8H2
InChIKeyNKNDZPMOPVPWNT-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.95
Rot. Bonds1

About 2,6-diamino-4-nitrosophenol

2,6-diamino-4-nitrosophenol (PubChem CID 88887734) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2,6-diamino-4-nitrosophenol.

Molecular Properties

Compound Name2,6-diamino-4-nitrosophenol
PubChem CID88887734
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2,6-diamino-4-nitrosophenol
SMILESNc1cc(N=O)cc(N)c1O
InChIInChI=1S/C6H7N3O2/c7-4-1-3(9-11)2-5(8)6(4)10/h1-2,10H,7-8H2
InChIKeyNKNDZPMOPVPWNT-UHFFFAOYSA-N
XLogP0.95
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-nitrosophenol?
The IUPAC name of 2,6-diamino-4-nitrosophenol (CID 88887734) is 2,6-diamino-4-nitrosophenol.
What is the SMILES notation for 2,6-diamino-4-nitrosophenol?
The canonical SMILES for 2,6-diamino-4-nitrosophenol is Nc1cc(N=O)cc(N)c1O.
What is the InChIKey of 2,6-diamino-4-nitrosophenol?
The InChIKey is NKNDZPMOPVPWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-4-1-3(9-11)2-5(8)6(4)10/h1-2,10H,7-8H2.
What are the key properties of 2,6-diamino-4-nitrosophenol?
2,6-diamino-4-nitrosophenol has a molecular weight of 153.14 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-4-nitrosophenol is sourced from PubChem (CID 88887734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).