2-bromo-5-methylselanylpyridine

C6H6BrNSe — CID 102215042

IUPAC2-bromo-5-methylselanylpyridine
SMILESC[Se]c1ccc(Br)nc1
InChIInChI=1S/C6H6BrNSe/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKeyQENSJKAYXABLIB-UHFFFAOYSA-N
MW250.98 g/mol
LogP1.22
Rot. Bonds1

About 2-bromo-5-methylselanylpyridine

2-bromo-5-methylselanylpyridine (PubChem CID 102215042) has the molecular formula C6H6BrNSe and a molecular weight of 250.98 g/mol. Its IUPAC name is 2-bromo-5-methylselanylpyridine.

Molecular Properties

Compound Name2-bromo-5-methylselanylpyridine
PubChem CID102215042
Molecular FormulaC6H6BrNSe
Molecular Weight250.98 g/mol
Exact Mass250.88
IUPAC Name2-bromo-5-methylselanylpyridine
SMILESC[Se]c1ccc(Br)nc1
InChIInChI=1S/C6H6BrNSe/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKeyQENSJKAYXABLIB-UHFFFAOYSA-N
XLogP1.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.98
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Pyridine
CID 1049
3-Methylpyridine
CID 7970
2-Methylpyridine
CID 7975
2-Bromopyridine
CID 7973
Pyridine-D5
CID 558519
3-Bromopyridine
CID 12286
Pyridinium chloride
CID 10176127
1-Ethylpyridinium iodide
CID 12038941
4-Amino-3-bromopyridine
CID 26095
Ethylpyridinium bromide
CID 15927
2,6-Dibromopyridine
CID 12274
2,5-Dibromopyridine
CID 69353

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylselanylpyridine?
The IUPAC name of 2-bromo-5-methylselanylpyridine (CID 102215042) is 2-bromo-5-methylselanylpyridine.
What is the SMILES notation for 2-bromo-5-methylselanylpyridine?
The canonical SMILES for 2-bromo-5-methylselanylpyridine is C[Se]c1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-methylselanylpyridine?
The InChIKey is QENSJKAYXABLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNSe/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3.
What are the key properties of 2-bromo-5-methylselanylpyridine?
2-bromo-5-methylselanylpyridine has a molecular weight of 250.98 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylselanylpyridine is sourced from PubChem (CID 102215042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).