5-bromo-4-methyl-2H-pyridin-2-ide;tungsten

C6H5BrNW- — CID 59932572

IUPAC5-bromo-4-methyl-2H-pyridin-2-ide;tungsten
SMILESCc1c[c-]ncc1Br.[W]
InChIInChI=1S/C6H5BrN.W/c1-5-2-3-8-4-6(5)7;/h2,4H,1H3;/q-1;
InChIKeyOBWSOFPJSZXANR-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.95
Rot. Bonds

About 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten

5-bromo-4-methyl-2H-pyridin-2-ide;tungsten (PubChem CID 59932572) has the molecular formula C6H5BrNW- and a molecular weight of 354.86 g/mol. Its IUPAC name is 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten.

Molecular Properties

Compound Name5-bromo-4-methyl-2H-pyridin-2-ide;tungsten
PubChem CID59932572
Molecular FormulaC6H5BrNW-
Molecular Weight354.86 g/mol
Exact Mass353.91
IUPAC Name5-bromo-4-methyl-2H-pyridin-2-ide;tungsten
SMILESCc1c[c-]ncc1Br.[W]
InChIInChI=1S/C6H5BrN.W/c1-5-2-3-8-4-6(5)7;/h2,4H,1H3;/q-1;
InChIKeyOBWSOFPJSZXANR-UHFFFAOYSA-N
XLogP1.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten 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 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten?
The IUPAC name of 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten (CID 59932572) is 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten.
What is the SMILES notation for 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten?
The canonical SMILES for 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten is Cc1c[c-]ncc1Br.[W].
What is the InChIKey of 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten?
The InChIKey is OBWSOFPJSZXANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN.W/c1-5-2-3-8-4-6(5)7;/h2,4H,1H3;/q-1;.
What are the key properties of 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten?
5-bromo-4-methyl-2H-pyridin-2-ide;tungsten has a molecular weight of 354.86 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2H-pyridin-2-ide;tungsten is sourced from PubChem (CID 59932572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).