2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine

C5H7BrN4 — CID 118047837

IUPAC2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine
SMILESNN=NC1C=CC(Br)=CN1
InChIInChI=1S/C5H7BrN4/c6-4-1-2-5(8-3-4)9-10-7/h1-3,5,8H,(H2,7,9)
InChIKeyOHWRSANPSKQRQX-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.03
Rot. Bonds1

About 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine

2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine (PubChem CID 118047837) has the molecular formula C5H7BrN4 and a molecular weight of 203.04 g/mol. Its IUPAC name is 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine
PubChem CID118047837
Molecular FormulaC5H7BrN4
Molecular Weight203.04 g/mol
Exact Mass201.99
IUPAC Name2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine
SMILESNN=NC1C=CC(Br)=CN1
InChIInChI=1S/C5H7BrN4/c6-4-1-2-5(8-3-4)9-10-7/h1-3,5,8H,(H2,7,9)
InChIKeyOHWRSANPSKQRQX-UHFFFAOYSA-N
XLogP1.03
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine?
The IUPAC name of 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine (CID 118047837) is 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine.
What is the SMILES notation for 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine?
The canonical SMILES for 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine is NN=NC1C=CC(Br)=CN1.
What is the InChIKey of 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine?
The InChIKey is OHWRSANPSKQRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4/c6-4-1-2-5(8-3-4)9-10-7/h1-3,5,8H,(H2,7,9).
What are the key properties of 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine?
2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine has a molecular weight of 203.04 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminodiazenyl)-5-bromo-1,2-dihydropyridine is sourced from PubChem (CID 118047837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).