bis(pyridin-1-ium-1,2-diamine) dibromide

C10H16Br2N6 — CID 68555103

IUPACbis(pyridin-1-ium-1,2-diamine) dibromide
SMILESNc1cccc[n+]1N.Nc1cccc[n+]1N.[Br-].[Br-]
InChIInChI=1S/2C5H7N3.2BrH/c2*6-5-3-1-2-4-8(5)7;;/h2*1-4,6H,7H2;2*1H
InChIKeyZGFJDDSERZCDKH-UHFFFAOYSA-N
MW380.09 g/mol
LogP-7.45
Rot. Bonds

About bis(pyridin-1-ium-1,2-diamine) dibromide

bis(pyridin-1-ium-1,2-diamine) dibromide (PubChem CID 68555103) has the molecular formula C10H16Br2N6 and a molecular weight of 380.09 g/mol. Its IUPAC name is bis(pyridin-1-ium-1,2-diamine) dibromide.

Molecular Properties

Compound Namebis(pyridin-1-ium-1,2-diamine) dibromide
PubChem CID68555103
Molecular FormulaC10H16Br2N6
Molecular Weight380.09 g/mol
Exact Mass377.98
IUPAC Namebis(pyridin-1-ium-1,2-diamine) dibromide
SMILESNc1cccc[n+]1N.Nc1cccc[n+]1N.[Br-].[Br-]
InChIInChI=1S/2C5H7N3.2BrH/c2*6-5-3-1-2-4-8(5)7;;/h2*1-4,6H,7H2;2*1H
InChIKeyZGFJDDSERZCDKH-UHFFFAOYSA-N
XLogP-7.45
TPSA111.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.09
LogP ≤ 5-7.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(pyridin-1-ium-1,2-diamine) dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(pyridin-1-ium-1,2-diamine) dibromide?
The IUPAC name of bis(pyridin-1-ium-1,2-diamine) dibromide (CID 68555103) is bis(pyridin-1-ium-1,2-diamine) dibromide.
What is the SMILES notation for bis(pyridin-1-ium-1,2-diamine) dibromide?
The canonical SMILES for bis(pyridin-1-ium-1,2-diamine) dibromide is Nc1cccc[n+]1N.Nc1cccc[n+]1N.[Br-].[Br-].
What is the InChIKey of bis(pyridin-1-ium-1,2-diamine) dibromide?
The InChIKey is ZGFJDDSERZCDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N3.2BrH/c2*6-5-3-1-2-4-8(5)7;;/h2*1-4,6H,7H2;2*1H.
What are the key properties of bis(pyridin-1-ium-1,2-diamine) dibromide?
bis(pyridin-1-ium-1,2-diamine) dibromide has a molecular weight of 380.09 g/mol, XLogP of -7.45, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridin-1-ium-1,2-diamine) dibromide is sourced from PubChem (CID 68555103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).