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

C14H22BrF2NO2Si — CID 177324707

IUPAC2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1cnc(Br)cc1C(F)F
InChIInChI=1S/C14H22BrF2NO2Si/c1-14(2,3)21(4,5)20-7-6-19-11-9-18-12(15)8-10(11)13(16)17/h8-9,13H,6-7H2,1-5H3
InChIKeyZARUWACJAGXEMT-UHFFFAOYSA-N
MW382.32 g/mol
LogP5.18
Rot. Bonds6

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

2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane (PubChem CID 177324707) has the molecular formula C14H22BrF2NO2Si and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
PubChem CID177324707
Molecular FormulaC14H22BrF2NO2Si
Molecular Weight382.32 g/mol
Exact Mass381.06
IUPAC Name2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1cnc(Br)cc1C(F)F
InChIInChI=1S/C14H22BrF2NO2Si/c1-14(2,3)21(4,5)20-7-6-19-11-9-18-12(15)8-10(11)13(16)17/h8-9,13H,6-7H2,1-5H3
InChIKeyZARUWACJAGXEMT-UHFFFAOYSA-N
XLogP5.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.32
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane (CID 177324707) is 2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOc1cnc(Br)cc1C(F)F.
What is the InChIKey of 2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is ZARUWACJAGXEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrF2NO2Si/c1-14(2,3)21(4,5)20-7-6-19-11-9-18-12(15)8-10(11)13(16)17/h8-9,13H,6-7H2,1-5H3.
What are the key properties of 2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane?
2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 382.32 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 177324707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).