(6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane

C15H24BrNO2Si — CID 160760666

IUPAC(6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCc1c(Br)cnc2c1C(O[Si](C)(C)C(C)(C)C)CCO2
InChIInChI=1S/C15H24BrNO2Si/c1-10-11(16)9-17-14-13(10)12(7-8-18-14)19-20(5,6)15(2,3)4/h9,12H,7-8H2,1-6H3
InChIKeyRYAFELBLACDDAA-UHFFFAOYSA-N
MW358.35 g/mol
LogP5.00
Rot. Bonds2

About (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane

(6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 160760666) has the molecular formula C15H24BrNO2Si and a molecular weight of 358.35 g/mol. Its IUPAC name is (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane
PubChem CID160760666
Molecular FormulaC15H24BrNO2Si
Molecular Weight358.35 g/mol
Exact Mass357.08
IUPAC Name(6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCc1c(Br)cnc2c1C(O[Si](C)(C)C(C)(C)C)CCO2
InChIInChI=1S/C15H24BrNO2Si/c1-10-11(16)9-17-14-13(10)12(7-8-18-14)19-20(5,6)15(2,3)4/h9,12H,7-8H2,1-6H3
InChIKeyRYAFELBLACDDAA-UHFFFAOYSA-N
XLogP5.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane (CID 160760666) is (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane is Cc1c(Br)cnc2c1C(O[Si](C)(C)C(C)(C)C)CCO2.
What is the InChIKey of (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is RYAFELBLACDDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2Si/c1-10-11(16)9-17-14-13(10)12(7-8-18-14)19-20(5,6)15(2,3)4/h9,12H,7-8H2,1-6H3.
What are the key properties of (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane?
(6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 358.35 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 160760666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).