N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline

C17H13N7O2 — CID 71361120

IUPACN-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline
SMILESO=[N+]([O-])c1ccc(/N=N/Nc2ccc(/N=N/c3ccccc3)cc2)nc1
InChIInChI=1S/C17H13N7O2/c25-24(26)16-10-11-17(18-12-16)22-23-21-15-8-6-14(7-9-15)20-19-13-4-2-1-3-5-13/h1-12H,(H,18,21,22)/b20-19+
InChIKeyNHHLKUZIRXGIOS-FMQUCBEESA-N
MW347.34 g/mol
LogP5.52
Rot. Bonds6

About N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline

N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline (PubChem CID 71361120) has the molecular formula C17H13N7O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline.

Molecular Properties

Compound NameN-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline
PubChem CID71361120
Molecular FormulaC17H13N7O2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC NameN-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline
SMILESO=[N+]([O-])c1ccc(/N=N/Nc2ccc(/N=N/c3ccccc3)cc2)nc1
InChIInChI=1S/C17H13N7O2/c25-24(26)16-10-11-17(18-12-16)22-23-21-15-8-6-14(7-9-15)20-19-13-4-2-1-3-5-13/h1-12H,(H,18,21,22)/b20-19+
InChIKeyNHHLKUZIRXGIOS-FMQUCBEESA-N
XLogP5.52
TPSA117.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.34
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline?
The IUPAC name of N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline (CID 71361120) is N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline.
What is the SMILES notation for N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline?
The canonical SMILES for N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline is O=[N+]([O-])c1ccc(/N=N/Nc2ccc(/N=N/c3ccccc3)cc2)nc1.
What is the InChIKey of N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline?
The InChIKey is NHHLKUZIRXGIOS-FMQUCBEESA-N. The full InChI is InChI=1S/C17H13N7O2/c25-24(26)16-10-11-17(18-12-16)22-23-21-15-8-6-14(7-9-15)20-19-13-4-2-1-3-5-13/h1-12H,(H,18,21,22)/b20-19+.
What are the key properties of N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline?
N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline has a molecular weight of 347.34 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitro-2-pyridinyl)diazenyl]-4-phenyldiazenylaniline is sourced from PubChem (CID 71361120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).