[(2-nitro-3-pyridinyl)diazenyl]cyanamide

C6H4N6O2 — CID 13077424

IUPAC[(2-nitro-3-pyridinyl)diazenyl]cyanamide
SMILESN#CN/N=N/c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O2/c7-4-9-11-10-5-2-1-3-8-6(5)12(13)14/h1-3H,(H,9,10)
InChIKeySQEQOQVXOIOFAA-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.06
Rot. Bonds3

About [(2-nitro-3-pyridinyl)diazenyl]cyanamide

[(2-nitro-3-pyridinyl)diazenyl]cyanamide (PubChem CID 13077424) has the molecular formula C6H4N6O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is [(2-nitro-3-pyridinyl)diazenyl]cyanamide.

Molecular Properties

Compound Name[(2-nitro-3-pyridinyl)diazenyl]cyanamide
PubChem CID13077424
Molecular FormulaC6H4N6O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name[(2-nitro-3-pyridinyl)diazenyl]cyanamide
SMILESN#CN/N=N/c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O2/c7-4-9-11-10-5-2-1-3-8-6(5)12(13)14/h1-3H,(H,9,10)
InChIKeySQEQOQVXOIOFAA-UHFFFAOYSA-N
XLogP1.06
TPSA116.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

(2-nitro-3-pyridinyl) thiocyanate
CID 133060510
2,3-dinitropyridine;hydrazine
CID 175406944
3-ethynyl-2-nitropyridine
CID 57416834
N-methyl-2-nitropyridin-3-amine
CID 555983
3-nitro-2-nitrosopyridine
CID 140999580
3-methoxy-2-nitropyridine
CID 556063
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
3-methylsulfanyl-2-nitropyridine
CID 130771705
N-methyl-3-nitropyridin-2-amine
CID 556349
(2-nitro-3-pyridinyl)methanol
CID 22416434
3-fluoro-2-nitropyridine;methane;2-nitropyridin-3-amine
CID 159866203
3-chloro-2,4-dinitropyridine
CID 174686743

Frequently Asked Questions

What is the IUPAC name of [(2-nitro-3-pyridinyl)diazenyl]cyanamide?
The IUPAC name of [(2-nitro-3-pyridinyl)diazenyl]cyanamide (CID 13077424) is [(2-nitro-3-pyridinyl)diazenyl]cyanamide.
What is the SMILES notation for [(2-nitro-3-pyridinyl)diazenyl]cyanamide?
The canonical SMILES for [(2-nitro-3-pyridinyl)diazenyl]cyanamide is N#CN/N=N/c1cccnc1[N+](=O)[O-].
What is the InChIKey of [(2-nitro-3-pyridinyl)diazenyl]cyanamide?
The InChIKey is SQEQOQVXOIOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O2/c7-4-9-11-10-5-2-1-3-8-6(5)12(13)14/h1-3H,(H,9,10).
What are the key properties of [(2-nitro-3-pyridinyl)diazenyl]cyanamide?
[(2-nitro-3-pyridinyl)diazenyl]cyanamide has a molecular weight of 192.14 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-nitro-3-pyridinyl)diazenyl]cyanamide is sourced from PubChem (CID 13077424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).