[4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane

C20H26BrNOSi — CID 101253258

IUPAC[4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane
SMILESCc1cc(Br)cnc1/C=C/c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H26BrNOSi/c1-15-13-17(21)14-22-19(15)12-9-16-7-10-18(11-8-16)23-24(5,6)20(2,3)4/h7-14H,1-6H3/b12-9+
InChIKeyOORMHVLFEGSJBH-FMIVXFBMSA-N
MW404.42 g/mol
LogP6.71
Rot. Bonds4

About [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane

[4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane (PubChem CID 101253258) has the molecular formula C20H26BrNOSi and a molecular weight of 404.42 g/mol. Its IUPAC name is [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane
PubChem CID101253258
Molecular FormulaC20H26BrNOSi
Molecular Weight404.42 g/mol
Exact Mass403.10
IUPAC Name[4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane
SMILESCc1cc(Br)cnc1/C=C/c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H26BrNOSi/c1-15-13-17(21)14-22-19(15)12-9-16-7-10-18(11-8-16)23-24(5,6)20(2,3)4/h7-14H,1-6H3/b12-9+
InChIKeyOORMHVLFEGSJBH-FMIVXFBMSA-N
XLogP6.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 58257410
tert-butyl-dimethyl-[[6-[(E)-prop-1-enyl]-3-pyridinyl]oxy]silane
CID 59131633
[4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane
CID 59167851
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
tert-butyl-[4-[2-(3,4-dimethylphenyl)ethynyl]phenoxy]-dimethylsilane
CID 102148278
[4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane
CID 15661507
4-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,5-dimethylpyridine
CID 141093015
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine
CID 10801667
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
CID 87059060
[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
CID 59310555

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane (CID 101253258) is [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane is Cc1cc(Br)cnc1/C=C/c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is OORMHVLFEGSJBH-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H26BrNOSi/c1-15-13-17(21)14-22-19(15)12-9-16-7-10-18(11-8-16)23-24(5,6)20(2,3)4/h7-14H,1-6H3/b12-9+.
What are the key properties of [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane?
[4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 404.42 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101253258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).