2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane

C44H66Br2N4Sn2 — CID 157243315

IUPAC2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane
SMILESBrc1cccc(-c2cccc(Br)n2)n1.CCCC[Sn](CCCC)(CCCC)c1cccc(-c2cccc([Sn](CCCC)(CCCC)CCCC)n2)n1
InChIInChI=1S/C10H6Br2N2.C10H6N2.6C4H9.2Sn/c11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8;1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-3-4-2;;/h1-6H;1-6H;6*1,3-4H2,2H3;;
InChIKeyAVLQPBYJDRQAQY-UHFFFAOYSA-N
MW1048.27 g/mol
LogP13.92
Rot. Bonds22

About 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane

2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane (PubChem CID 157243315) has the molecular formula C44H66Br2N4Sn2 and a molecular weight of 1048.27 g/mol. Its IUPAC name is 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane.

Molecular Properties

Compound Name2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane
PubChem CID157243315
Molecular FormulaC44H66Br2N4Sn2
Molecular Weight1048.27 g/mol
Exact Mass1048.17
IUPAC Name2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane
SMILESBrc1cccc(-c2cccc(Br)n2)n1.CCCC[Sn](CCCC)(CCCC)c1cccc(-c2cccc([Sn](CCCC)(CCCC)CCCC)n2)n1
InChIInChI=1S/C10H6Br2N2.C10H6N2.6C4H9.2Sn/c11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8;1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-3-4-2;;/h1-6H;1-6H;6*1,3-4H2,2H3;;
InChIKeyAVLQPBYJDRQAQY-UHFFFAOYSA-N
XLogP13.92
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001048.27
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6''-Dibromo-2,2':6',2''-terpyridine
CID 4226981
6,6'-Dibromo-2,2'-bipyridyl
CID 4407547
2-Methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine
CID 177002668
2,2'-Bipyridine, 5-bromo-6,6'-dimethyl-
CID 10901441
1~6~,3~6~-Dibromo-2~4~-phenyl-1~2~,2~2~:2~6~,3~2~-terpyridine
CID 12786938
3-bromo-6-[5-bromo-6-[(E)-tridec-1-enyl]-2-pyridinyl]-2-[(E)-tridec-1-enyl]pyridine
CID 132511935
bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) tetrafluoroborate
CID 139056348
Trimethyl-[2-[6-[6-(2-trimethylsilylethynyl)-2-pyridinyl]-2-pyridinyl]ethynyl]silane
CID 139154549
2-(6-Bromo-2-fluoro-3-pyridinyl)-6-[2-[6-(6-bromo-2-fluoro-3-pyridinyl)-4-fluoro-2-pyridinyl]propan-2-yl]-4-fluoropyridine
CID 144163793
2-Bromo-3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-6-fluoropyridine
CID 144163921
3-[6-[2-[6-(6-Bromo-2-fluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine
CID 159897894
2-Bromo-3-[6-[2-[6-(2-bromo-6-fluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-6-fluoropyridine
CID 159897895

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane?
The IUPAC name of 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane (CID 157243315) is 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane.
What is the SMILES notation for 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane?
The canonical SMILES for 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane is Brc1cccc(-c2cccc(Br)n2)n1.CCCC[Sn](CCCC)(CCCC)c1cccc(-c2cccc([Sn](CCCC)(CCCC)CCCC)n2)n1.
What is the InChIKey of 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane?
The InChIKey is AVLQPBYJDRQAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2.C10H6N2.6C4H9.2Sn/c11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8;1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-3-4-2;;/h1-6H;1-6H;6*1,3-4H2,2H3;;.
What are the key properties of 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane?
2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane has a molecular weight of 1048.27 g/mol, XLogP of 13.92, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(6-bromo-2-pyridinyl)pyridine;tributyl-[6-(6-tributylstannyl-2-pyridinyl)-2-pyridinyl]stannane is sourced from PubChem (CID 157243315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).