2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine

C5H6BrFN4 — CID 131970569

IUPAC2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine
SMILESNN=NC1NC=C(Br)C=C1F
InChIInChI=1S/C5H6BrFN4/c6-3-1-4(7)5(9-2-3)10-11-8/h1-2,5,9H,(H2,8,10)
InChIKeyDMARNPWUZWTLKK-UHFFFAOYSA-N
MW221.03 g/mol
LogP1.33
Rot. Bonds1

About 2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine

2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine (PubChem CID 131970569) has the molecular formula C5H6BrFN4 and a molecular weight of 221.03 g/mol. Its IUPAC name is 2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine
PubChem CID131970569
Molecular FormulaC5H6BrFN4
Molecular Weight221.03 g/mol
Exact Mass219.98
IUPAC Name2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine
SMILESNN=NC1NC=C(Br)C=C1F
InChIInChI=1S/C5H6BrFN4/c6-3-1-4(7)5(9-2-3)10-11-8/h1-2,5,9H,(H2,8,10)
InChIKeyDMARNPWUZWTLKK-UHFFFAOYSA-N
XLogP1.33
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.03
LogP ≤ 51.33
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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Related Compounds

5-Bromo-3-fluoro-1,2-dihydropyridin-2-amine
CID 122497258
5-bromo-3-fluoro-2H-pyridine-1,2-diamine
CID 170340688
2-(Aminodiazenyl)-5-bromo-1,2-dihydropyridine
CID 118047837
2-(Aminodiazenyl)-5-bromo-3-chloro-1,2-dihydropyridine
CID 131970352

Frequently Asked Questions

What is the IUPAC name of 2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine?
The IUPAC name of 2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine (CID 131970569) is 2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine?
The canonical SMILES for 2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine is NN=NC1NC=C(Br)C=C1F.
What is the InChIKey of 2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine?
The InChIKey is DMARNPWUZWTLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN4/c6-3-1-4(7)5(9-2-3)10-11-8/h1-2,5,9H,(H2,8,10).
What are the key properties of 2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine?
2-(aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine has a molecular weight of 221.03 g/mol, XLogP of 1.33, 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-3-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 131970569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).