4-bromo-3-methyl-5-phenyl-1,2-selenazole

C10H8BrNSe — CID 14343202

IUPAC4-bromo-3-methyl-5-phenyl-1,2-selenazole
SMILESCc1n[se]c(-c2ccccc2)c1Br
InChIInChI=1S/C10H8BrNSe/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyQVXBEDITAHIVNN-UHFFFAOYSA-N
MW301.05 g/mol
LogP2.88
Rot. Bonds1

About 4-bromo-3-methyl-5-phenyl-1,2-selenazole

4-bromo-3-methyl-5-phenyl-1,2-selenazole (PubChem CID 14343202) has the molecular formula C10H8BrNSe and a molecular weight of 301.05 g/mol. Its IUPAC name is 4-bromo-3-methyl-5-phenyl-1,2-selenazole.

Molecular Properties

Compound Name4-bromo-3-methyl-5-phenyl-1,2-selenazole
PubChem CID14343202
Molecular FormulaC10H8BrNSe
Molecular Weight301.05 g/mol
Exact Mass300.90
IUPAC Name4-bromo-3-methyl-5-phenyl-1,2-selenazole
SMILESCc1n[se]c(-c2ccccc2)c1Br
InChIInChI=1S/C10H8BrNSe/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyQVXBEDITAHIVNN-UHFFFAOYSA-N
XLogP2.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.05
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-5-phenyl-1,2-selenazole?
The IUPAC name of 4-bromo-3-methyl-5-phenyl-1,2-selenazole (CID 14343202) is 4-bromo-3-methyl-5-phenyl-1,2-selenazole.
What is the SMILES notation for 4-bromo-3-methyl-5-phenyl-1,2-selenazole?
The canonical SMILES for 4-bromo-3-methyl-5-phenyl-1,2-selenazole is Cc1n[se]c(-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-3-methyl-5-phenyl-1,2-selenazole?
The InChIKey is QVXBEDITAHIVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNSe/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4-bromo-3-methyl-5-phenyl-1,2-selenazole?
4-bromo-3-methyl-5-phenyl-1,2-selenazole has a molecular weight of 301.05 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-5-phenyl-1,2-selenazole is sourced from PubChem (CID 14343202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).