4-phenyldiazenylpyridine-2,3-diamine;hydrochloride

C11H12ClN5 — CID 57365046

IUPAC4-phenyldiazenylpyridine-2,3-diamine;hydrochloride
SMILESCl.Nc1nccc(/N=N/c2ccccc2)c1N
InChIInChI=1S/C11H11N5.ClH/c12-10-9(6-7-14-11(10)13)16-15-8-4-2-1-3-5-8;/h1-7H,12H2,(H2,13,14);1H/b16-15+;
InChIKeyOVKRDBCQMKHMMV-GEEYTBSJSA-N
MW249.71 g/mol
LogP3.08
Rot. Bonds2

About 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride

4-phenyldiazenylpyridine-2,3-diamine;hydrochloride (PubChem CID 57365046) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride.

Molecular Properties

Compound Name4-phenyldiazenylpyridine-2,3-diamine;hydrochloride
PubChem CID57365046
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name4-phenyldiazenylpyridine-2,3-diamine;hydrochloride
SMILESCl.Nc1nccc(/N=N/c2ccccc2)c1N
InChIInChI=1S/C11H11N5.ClH/c12-10-9(6-7-14-11(10)13)16-15-8-4-2-1-3-5-8;/h1-7H,12H2,(H2,13,14);1H/b16-15+;
InChIKeyOVKRDBCQMKHMMV-GEEYTBSJSA-N
XLogP3.08
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride?
The IUPAC name of 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride (CID 57365046) is 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride.
What is the SMILES notation for 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride?
The canonical SMILES for 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride is Cl.Nc1nccc(/N=N/c2ccccc2)c1N.
What is the InChIKey of 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride?
The InChIKey is OVKRDBCQMKHMMV-GEEYTBSJSA-N. The full InChI is InChI=1S/C11H11N5.ClH/c12-10-9(6-7-14-11(10)13)16-15-8-4-2-1-3-5-8;/h1-7H,12H2,(H2,13,14);1H/b16-15+;.
What are the key properties of 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride?
4-phenyldiazenylpyridine-2,3-diamine;hydrochloride has a molecular weight of 249.71 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenylpyridine-2,3-diamine;hydrochloride is sourced from PubChem (CID 57365046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).