bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine

C18H26BrClN2Sn — CID 50911470

IUPACbromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine
SMILESCCCC[Sn](Cl)(Br)CCCC.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C4H9.BrH.ClH.Sn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3-4-2;;;/h1-8H;2*1,3-4H2,2H3;2*1H;/q;;;;;+2/p-2
InChIKeyDZJPVTUWSMXNEK-UHFFFAOYSA-L
MW504.49 g/mol
LogP6.81
Rot. Bonds7

About bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine

bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine (PubChem CID 50911470) has the molecular formula C18H26BrClN2Sn and a molecular weight of 504.49 g/mol. Its IUPAC name is bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine
PubChem CID50911470
Molecular FormulaC18H26BrClN2Sn
Molecular Weight504.49 g/mol
Exact Mass504.00
IUPAC Namebromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine
SMILESCCCC[Sn](Cl)(Br)CCCC.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C4H9.BrH.ClH.Sn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3-4-2;;;/h1-8H;2*1,3-4H2,2H3;2*1H;/q;;;;;+2/p-2
InChIKeyDZJPVTUWSMXNEK-UHFFFAOYSA-L
XLogP6.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.49
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine?
The IUPAC name of bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine (CID 50911470) is bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine.
What is the SMILES notation for bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine?
The canonical SMILES for bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine is CCCC[Sn](Cl)(Br)CCCC.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine?
The InChIKey is DZJPVTUWSMXNEK-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.2C4H9.BrH.ClH.Sn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3-4-2;;;/h1-8H;2*1,3-4H2,2H3;2*1H;/q;;;;;+2/p-2.
What are the key properties of bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine?
bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine has a molecular weight of 504.49 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-dibutyl-chlorostannane;2-pyridin-2-ylpyridine is sourced from PubChem (CID 50911470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).