2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane

C14H23Br2NO2Si — CID 177324563

IUPAC2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1cnc(CBr)cc1Br
InChIInChI=1S/C14H23Br2NO2Si/c1-14(2,3)20(4,5)19-7-6-18-13-10-17-11(9-15)8-12(13)16/h8,10H,6-7,9H2,1-5H3
InChIKeyBYSNHHHTYBRWDH-UHFFFAOYSA-N
MW425.24 g/mol
LogP5.14
Rot. Bonds6

About 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane

2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane (PubChem CID 177324563) has the molecular formula C14H23Br2NO2Si and a molecular weight of 425.24 g/mol. Its IUPAC name is 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
PubChem CID177324563
Molecular FormulaC14H23Br2NO2Si
Molecular Weight425.24 g/mol
Exact Mass422.99
IUPAC Name2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1cnc(CBr)cc1Br
InChIInChI=1S/C14H23Br2NO2Si/c1-14(2,3)20(4,5)19-7-6-18-13-10-17-11(9-15)8-12(13)16/h8,10H,6-7,9H2,1-5H3
InChIKeyBYSNHHHTYBRWDH-UHFFFAOYSA-N
XLogP5.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.24
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 177324707
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
CID 102589109
2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 178175998
2-[4-bromo-2-chloro-5-(1,3-thiazol-2-yl)phenoxy]ethoxy-tert-butyl-dimethylsilane
CID 168987343
2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
CID 58242265
2-[(2-bromo-6-methylsulfonyl-4-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 167439701
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile
CID 174070466
4-[3-bromo-4-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]phenyl]benzoic acid
CID 141144653
2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile
CID 168990714
6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-methoxypyridin-3-amine;methane
CID 158047382
[3,4,5-tris[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]methanol
CID 68503107

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane (CID 177324563) is 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOc1cnc(CBr)cc1Br.
What is the InChIKey of 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is BYSNHHHTYBRWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Br2NO2Si/c1-14(2,3)20(4,5)19-7-6-18-13-10-17-11(9-15)8-12(13)16/h8,10H,6-7,9H2,1-5H3.
What are the key properties of 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane?
2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 425.24 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 177324563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).