2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane

C22H33BrF2N2Sn — CID 157453335

IUPAC2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(F)cn1.Fc1ccc(Br)nc1
InChIInChI=1S/C5H3BrFN.C5H3FN.3C4H9.Sn/c6-5-2-1-4(7)3-8-5;6-5-2-1-3-7-4-5;3*1-3-4-2;/h1-3H;1-2,4H;3*1,3-4H2,2H3;
InChIKeyBTBAVKZEHCKYOT-UHFFFAOYSA-N
MW562.13 g/mol
LogP7.26
Rot. Bonds10

About 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane

2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane (PubChem CID 157453335) has the molecular formula C22H33BrF2N2Sn and a molecular weight of 562.13 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane.

Molecular Properties

Compound Name2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane
PubChem CID157453335
Molecular FormulaC22H33BrF2N2Sn
Molecular Weight562.13 g/mol
Exact Mass562.08
IUPAC Name2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(F)cn1.Fc1ccc(Br)nc1
InChIInChI=1S/C5H3BrFN.C5H3FN.3C4H9.Sn/c6-5-2-1-4(7)3-8-5;6-5-2-1-3-7-4-5;3*1-3-4-2;/h1-3H;1-2,4H;3*1,3-4H2,2H3;
InChIKeyBTBAVKZEHCKYOT-UHFFFAOYSA-N
XLogP7.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.13
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane?
The IUPAC name of 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane (CID 157453335) is 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane.
What is the SMILES notation for 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane?
The canonical SMILES for 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(F)cn1.Fc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane?
The InChIKey is BTBAVKZEHCKYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFN.C5H3FN.3C4H9.Sn/c6-5-2-1-4(7)3-8-5;6-5-2-1-3-7-4-5;3*1-3-4-2;/h1-3H;1-2,4H;3*1,3-4H2,2H3;.
What are the key properties of 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane?
2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane has a molecular weight of 562.13 g/mol, XLogP of 7.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropyridine;tributyl-(5-fluoro-2-pyridinyl)stannane is sourced from PubChem (CID 157453335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).