1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide

C19H28Br2N2 — CID 11408144

IUPAC1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide
SMILES[Br-].[Br-].c1cc[n+](CCCCCCCCC[n+]2ccccc2)cc1
InChIInChI=1S/C19H28N2.2BrH/c1(2-4-8-14-20-16-10-6-11-17-20)3-5-9-15-21-18-12-7-13-19-21;;/h6-7,10-13,16-19H,1-5,8-9,14-15H2;2*1H/q+2;;/p-2
InChIKeyUOOOOWOODBZUKX-UHFFFAOYSA-L
MW444.26 g/mol
LogP-2.30
Rot. Bonds10

About 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide

1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide (PubChem CID 11408144) has the molecular formula C19H28Br2N2 and a molecular weight of 444.26 g/mol. Its IUPAC name is 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide.

Molecular Properties

Compound Name1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide
PubChem CID11408144
Molecular FormulaC19H28Br2N2
Molecular Weight444.26 g/mol
Exact Mass442.06
IUPAC Name1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide
SMILES[Br-].[Br-].c1cc[n+](CCCCCCCCC[n+]2ccccc2)cc1
InChIInChI=1S/C19H28N2.2BrH/c1(2-4-8-14-20-16-10-6-11-17-20)3-5-9-15-21-18-12-7-13-19-21;;/h6-7,10-13,16-19H,1-5,8-9,14-15H2;2*1H/q+2;;/p-2
InChIKeyUOOOOWOODBZUKX-UHFFFAOYSA-L
XLogP-2.30
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.26
LogP ≤ 5-2.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium 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 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide?
The IUPAC name of 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide (CID 11408144) is 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide.
What is the SMILES notation for 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide?
The canonical SMILES for 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide is [Br-].[Br-].c1cc[n+](CCCCCCCCC[n+]2ccccc2)cc1.
What is the InChIKey of 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide?
The InChIKey is UOOOOWOODBZUKX-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H28N2.2BrH/c1(2-4-8-14-20-16-10-6-11-17-20)3-5-9-15-21-18-12-7-13-19-21;;/h6-7,10-13,16-19H,1-5,8-9,14-15H2;2*1H/q+2;;/p-2.
What are the key properties of 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide?
1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide has a molecular weight of 444.26 g/mol, XLogP of -2.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-pyridin-1-ium-1-ylnonyl)pyridin-1-ium dibromide is sourced from PubChem (CID 11408144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).