CID 174408946

C9H13BrNSn+ — CID 174408946

IUPAC—
SMILESC[N+](C)(C)c1ccccc1Br.[Sn]
InChIInChI=1S/C9H13BrN.Sn/c1-11(2,3)9-7-5-4-6-8(9)10;/h4-7H,1-3H3;/q+1;
InChIKeyPPIUBIYAWIULDO-UHFFFAOYSA-N
MW333.83 g/mol
LogP2.27
Rot. Bonds1

About CID 174408946

CID 174408946 (PubChem CID 174408946) has the molecular formula C9H13BrNSn+ and a molecular weight of 333.83 g/mol.

Molecular Properties

Compound NameCID 174408946
PubChem CID174408946
Molecular FormulaC9H13BrNSn+
Molecular Weight333.83 g/mol
Exact Mass333.92
IUPAC Name—
SMILESC[N+](C)(C)c1ccccc1Br.[Sn]
InChIInChI=1S/C9H13BrN.Sn/c1-11(2,3)9-7-5-4-6-8(9)10;/h4-7H,1-3H3;/q+1;
InChIKeyPPIUBIYAWIULDO-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze CID 174408946 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 CID 174408946?
The IUPAC name of CID 174408946 (CID 174408946) is not available.
What is the SMILES notation for CID 174408946?
The canonical SMILES for CID 174408946 is C[N+](C)(C)c1ccccc1Br.[Sn].
What is the InChIKey of CID 174408946?
The InChIKey is PPIUBIYAWIULDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN.Sn/c1-11(2,3)9-7-5-4-6-8(9)10;/h4-7H,1-3H3;/q+1;.
What are the key properties of CID 174408946?
CID 174408946 has a molecular weight of 333.83 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174408946 is sourced from PubChem (CID 174408946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).