1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine

C46H75Br4ClN4O4Si3 — CID 159495580

IUPAC1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine
SMILESBrc1ccc(Br)nc1.CC(C)(C)[Si](C)(C)Cl.CC(O)c1ccc(Br)nc1.CC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)nc1.CC(O[Si](C)(C)C(C)(C)C)c1ccc(CCO)nc1
InChIInChI=1S/C15H27NO2Si.C13H22BrNOSi.C7H8BrNO.C6H15ClSi.C5H3Br2N/c1-12(18-19(5,6)15(2,3)4)13-7-8-14(9-10-17)16-11-13;1-10(11-7-8-12(14)15-9-11)16-17(5,6)13(2,3)4;1-5(10)6-2-3-7(8)9-4-6;1-6(2,3)8(4,5)7;6-4-1-2-5(7)8-3-4/h7-8,11-12,17H,9-10H2,1-6H3;7-10H,1-6H3;2-5,10H,1H3;1-5H3;1-3H
InChIKeyLYSWQZLDTHNMDT-UHFFFAOYSA-N
MW1187.46 g/mol
LogP16.36
Rot. Bonds9

About 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine

1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine (PubChem CID 159495580) has the molecular formula C46H75Br4ClN4O4Si3 and a molecular weight of 1187.46 g/mol. Its IUPAC name is 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine.

Molecular Properties

Compound Name1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine
PubChem CID159495580
Molecular FormulaC46H75Br4ClN4O4Si3
Molecular Weight1187.46 g/mol
Exact Mass1182.15
IUPAC Name1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine
SMILESBrc1ccc(Br)nc1.CC(C)(C)[Si](C)(C)Cl.CC(O)c1ccc(Br)nc1.CC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)nc1.CC(O[Si](C)(C)C(C)(C)C)c1ccc(CCO)nc1
InChIInChI=1S/C15H27NO2Si.C13H22BrNOSi.C7H8BrNO.C6H15ClSi.C5H3Br2N/c1-12(18-19(5,6)15(2,3)4)13-7-8-14(9-10-17)16-11-13;1-10(11-7-8-12(14)15-9-11)16-17(5,6)13(2,3)4;1-5(10)6-2-3-7(8)9-4-6;1-6(2,3)8(4,5)7;6-4-1-2-5(7)8-3-4/h7-8,11-12,17H,9-10H2,1-6H3;7-10H,1-6H3;2-5,10H,1H3;1-5H3;1-3H
InChIKeyLYSWQZLDTHNMDT-UHFFFAOYSA-N
XLogP16.36
TPSA110.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001187.46
LogP ≤ 516.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine?
The IUPAC name of 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine (CID 159495580) is 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine.
What is the SMILES notation for 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine?
The canonical SMILES for 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine is Brc1ccc(Br)nc1.CC(C)(C)[Si](C)(C)Cl.CC(O)c1ccc(Br)nc1.CC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)nc1.CC(O[Si](C)(C)C(C)(C)C)c1ccc(CCO)nc1.
What is the InChIKey of 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine?
The InChIKey is LYSWQZLDTHNMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2Si.C13H22BrNOSi.C7H8BrNO.C6H15ClSi.C5H3Br2N/c1-12(18-19(5,6)15(2,3)4)13-7-8-14(9-10-17)16-11-13;1-10(11-7-8-12(14)15-9-11)16-17(5,6)13(2,3)4;1-5(10)6-2-3-7(8)9-4-6;1-6(2,3)8(4,5)7;6-4-1-2-5(7)8-3-4/h7-8,11-12,17H,9-10H2,1-6H3;7-10H,1-6H3;2-5,10H,1H3;1-5H3;1-3H.
What are the key properties of 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine?
1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine has a molecular weight of 1187.46 g/mol, XLogP of 16.36, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-pyridinyl)ethanol;1-(6-bromo-3-pyridinyl)ethoxy-tert-butyl-dimethylsilane;tert-butyl-chloro-dimethylsilane;2-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridinyl]ethanol;2,5-dibromopyridine is sourced from PubChem (CID 159495580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).