2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane

C14H24BrNO4SSi — CID 167439701

IUPAC2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1cc(Br)nc(S(C)(=O)=O)c1
InChIInChI=1S/C14H24BrNO4SSi/c1-14(2,3)22(5,6)20-8-7-19-11-9-12(15)16-13(10-11)21(4,17)18/h9-10H,7-8H2,1-6H3
InChIKeyUMEFVPSVEXGHIL-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.65
Rot. Bonds6

About 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane

2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane (PubChem CID 167439701) has the molecular formula C14H24BrNO4SSi and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
PubChem CID167439701
Molecular FormulaC14H24BrNO4SSi
Molecular Weight410.41 g/mol
Exact Mass409.04
IUPAC Name2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1cc(Br)nc(S(C)(=O)=O)c1
InChIInChI=1S/C14H24BrNO4SSi/c1-14(2,3)22(5,6)20-8-7-19-11-9-12(15)16-13(10-11)21(4,17)18/h9-10H,7-8H2,1-6H3
InChIKeyUMEFVPSVEXGHIL-UHFFFAOYSA-N
XLogP3.65
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine
CID 166918581
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methylaniline
CID 69452895
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 177324563
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid
CID 162506085
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
2,4-dibromo-6-methylsulfonylpyrimidine
CID 154156643
2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 177324707
tert-butyl-dimethyl-[2-[2-(3-methylphenoxy)ethoxy]ethoxy]silane
CID 141377156
[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-pyridinyl]methanol
CID 168916688

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane (CID 167439701) is 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOc1cc(Br)nc(S(C)(=O)=O)c1.
What is the InChIKey of 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is UMEFVPSVEXGHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO4SSi/c1-14(2,3)22(5,6)20-8-7-19-11-9-12(15)16-13(10-11)21(4,17)18/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 410.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 167439701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).