2-(2-methylphenyl)selanylpyridine

C12H11NSe — CID 102494013

IUPAC2-(2-methylphenyl)selanylpyridine
SMILESCc1ccccc1[Se]c1ccccn1
InChIInChI=1S/C12H11NSe/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h2-9H,1H3
InChIKeyBRMGBTGEFLVVMD-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.05
Rot. Bonds2

About 2-(2-methylphenyl)selanylpyridine

2-(2-methylphenyl)selanylpyridine (PubChem CID 102494013) has the molecular formula C12H11NSe and a molecular weight of 248.19 g/mol. Its IUPAC name is 2-(2-methylphenyl)selanylpyridine.

Molecular Properties

Compound Name2-(2-methylphenyl)selanylpyridine
PubChem CID102494013
Molecular FormulaC12H11NSe
Molecular Weight248.19 g/mol
Exact Mass249.01
IUPAC Name2-(2-methylphenyl)selanylpyridine
SMILESCc1ccccc1[Se]c1ccccn1
InChIInChI=1S/C12H11NSe/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h2-9H,1H3
InChIKeyBRMGBTGEFLVVMD-UHFFFAOYSA-N
XLogP1.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene
CID 132527662
2-(2-methyl-6-phenylselanylphenyl)pyrimidine
CID 132512136
2-(4-chlorophenyl)selanylpyridine;molecular iodine
CID 139178443
2-(2-methylphenyl)pyridine
CID 144596153
2-(trifluoromethylselanyl)pyridine
CID 13447120
dichloroplatinum;bis(2-methylpyridine)
CID 4034453
1,2-xylene
CID 173422016
1-(chloromethylselanyl)-2-methylbenzene
CID 53308997
bis(2,3-dimethylpyridine);ethane
CID 159594018
(2-methylphenyl)-pyrimidin-2-ylmethanamine
CID 60820195
2-(2-methylselanylphenyl)pyridine
CID 139264776
2-[(2-methylphenyl)-phenylmethyl]pyridine
CID 170986908

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)selanylpyridine?
The IUPAC name of 2-(2-methylphenyl)selanylpyridine (CID 102494013) is 2-(2-methylphenyl)selanylpyridine.
What is the SMILES notation for 2-(2-methylphenyl)selanylpyridine?
The canonical SMILES for 2-(2-methylphenyl)selanylpyridine is Cc1ccccc1[Se]c1ccccn1.
What is the InChIKey of 2-(2-methylphenyl)selanylpyridine?
The InChIKey is BRMGBTGEFLVVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NSe/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h2-9H,1H3.
What are the key properties of 2-(2-methylphenyl)selanylpyridine?
2-(2-methylphenyl)selanylpyridine has a molecular weight of 248.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)selanylpyridine is sourced from PubChem (CID 102494013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).