3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine

C12H10Br2N2Se2 — CID 101475776

IUPAC3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine
SMILESCc1ccnc([Se][Se]c2nccc(C)c2Br)c1Br
InChIInChI=1S/C12H10Br2N2Se2/c1-7-3-5-15-11(9(7)13)17-18-12-10(14)8(2)4-6-16-12/h3-6H,1-2H3
InChIKeyDAKHPSQXSHBKNN-UHFFFAOYSA-N
MW499.95 g/mol
LogP1.89
Rot. Bonds3

About 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine

3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine (PubChem CID 101475776) has the molecular formula C12H10Br2N2Se2 and a molecular weight of 499.95 g/mol. Its IUPAC name is 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine
PubChem CID101475776
Molecular FormulaC12H10Br2N2Se2
Molecular Weight499.95 g/mol
Exact Mass499.75
IUPAC Name3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine
SMILESCc1ccnc([Se][Se]c2nccc(C)c2Br)c1Br
InChIInChI=1S/C12H10Br2N2Se2/c1-7-3-5-15-11(9(7)13)17-18-12-10(14)8(2)4-6-16-12/h3-6H,1-2H3
InChIKeyDAKHPSQXSHBKNN-UHFFFAOYSA-N
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.95
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine?
The IUPAC name of 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine (CID 101475776) is 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine?
The canonical SMILES for 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine is Cc1ccnc([Se][Se]c2nccc(C)c2Br)c1Br.
What is the InChIKey of 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine?
The InChIKey is DAKHPSQXSHBKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2Se2/c1-7-3-5-15-11(9(7)13)17-18-12-10(14)8(2)4-6-16-12/h3-6H,1-2H3.
What are the key properties of 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine?
3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine has a molecular weight of 499.95 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine is sourced from PubChem (CID 101475776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).