(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene

C16H12N8O2 — CID 90968178

IUPAC(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
SMILESO=[N+]([O-])c1ccc(/N=N/C(N=Nc2ccccn2)c2cccnc2)nc1
InChIInChI=1S/C16H12N8O2/c25-24(26)13-6-7-15(19-11-13)21-23-16(12-4-3-8-17-10-12)22-20-14-5-1-2-9-18-14/h1-11,16H/b22-20?,23-21+
InChIKeyNVJAXFZAPMVABG-XVOXSBDCSA-N
MW348.33 g/mol
LogP4.35
Rot. Bonds6

About (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene

(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene (PubChem CID 90968178) has the molecular formula C16H12N8O2 and a molecular weight of 348.33 g/mol. Its IUPAC name is (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene.

Molecular Properties

Compound Name(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
PubChem CID90968178
Molecular FormulaC16H12N8O2
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
SMILESO=[N+]([O-])c1ccc(/N=N/C(N=Nc2ccccn2)c2cccnc2)nc1
InChIInChI=1S/C16H12N8O2/c25-24(26)13-6-7-15(19-11-13)21-23-16(12-4-3-8-17-10-12)22-20-14-5-1-2-9-18-14/h1-11,16H/b22-20?,23-21+
InChIKeyNVJAXFZAPMVABG-XVOXSBDCSA-N
XLogP4.35
TPSA131.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_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-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile
CID 136648837
formaldehyde;3-nitropyridine
CID 159977951
N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide
CID 20614337
5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
CID 91941399
(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene
CID 54157550
2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
CID 136665588
2-isothiocyanato-5-nitropyridine
CID 12866943
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
ethane-1,2-diamine;3-nitropyridine
CID 142993055
(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine
CID 43825641
N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 100573733
1-(3-nitrophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43181736

Frequently Asked Questions

What is the IUPAC name of (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene?
The IUPAC name of (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene (CID 90968178) is (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene.
What is the SMILES notation for (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene?
The canonical SMILES for (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene is O=[N+]([O-])c1ccc(/N=N/C(N=Nc2ccccn2)c2cccnc2)nc1.
What is the InChIKey of (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene?
The InChIKey is NVJAXFZAPMVABG-XVOXSBDCSA-N. The full InChI is InChI=1S/C16H12N8O2/c25-24(26)13-6-7-15(19-11-13)21-23-16(12-4-3-8-17-10-12)22-20-14-5-1-2-9-18-14/h1-11,16H/b22-20?,23-21+.
What are the key properties of (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene?
(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene has a molecular weight of 348.33 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene is sourced from PubChem (CID 90968178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).