1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol

C19H32BrNO3Si — CID 158243588

IUPAC1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)C(O)c1ncc(Br)c(C)c1OC
InChIInChI=1S/C19H32BrNO3Si/c1-9-14(10-11-24-25(7,8)19(3,4)5)17(22)16-18(23-6)13(2)15(20)12-21-16/h9,12,14,17,22H,1,10-11H2,2-8H3
InChIKeySUGLREFWXPXQGF-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.41
Rot. Bonds8

About 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol

1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol (PubChem CID 158243588) has the molecular formula C19H32BrNO3Si and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol
PubChem CID158243588
Molecular FormulaC19H32BrNO3Si
Molecular Weight430.46 g/mol
Exact Mass429.13
IUPAC Name1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)C(O)c1ncc(Br)c(C)c1OC
InChIInChI=1S/C19H32BrNO3Si/c1-9-14(10-11-24-25(7,8)19(3,4)5)17(22)16-18(23-6)13(2)15(20)12-21-16/h9,12,14,17,22H,1,10-11H2,2-8H3
InChIKeySUGLREFWXPXQGF-UHFFFAOYSA-N
XLogP5.41
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol?
The IUPAC name of 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol (CID 158243588) is 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol.
What is the SMILES notation for 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol?
The canonical SMILES for 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol is C=CC(CCO[Si](C)(C)C(C)(C)C)C(O)c1ncc(Br)c(C)c1OC.
What is the InChIKey of 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol?
The InChIKey is SUGLREFWXPXQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BrNO3Si/c1-9-14(10-11-24-25(7,8)19(3,4)5)17(22)16-18(23-6)13(2)15(20)12-21-16/h9,12,14,17,22H,1,10-11H2,2-8H3.
What are the key properties of 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol?
1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol has a molecular weight of 430.46 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methoxy-4-methyl-2-pyridinyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-en-1-ol is sourced from PubChem (CID 158243588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).