[(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane

C18H22BrF2NOSi — CID 174313006

IUPAC[(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(Br)cn1)c1ccc(F)cc1F
InChIInChI=1S/C18H22BrF2NOSi/c1-18(2,3)24(4,5)23-17(16-9-6-12(19)11-22-16)14-8-7-13(20)10-15(14)21/h6-11,17H,1-5H3
InChIKeyYNXIYZSNRLZDMO-UHFFFAOYSA-N
MW414.37 g/mol
LogP6.23
Rot. Bonds4

About [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane

[(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane (PubChem CID 174313006) has the molecular formula C18H22BrF2NOSi and a molecular weight of 414.37 g/mol. Its IUPAC name is [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane
PubChem CID174313006
Molecular FormulaC18H22BrF2NOSi
Molecular Weight414.37 g/mol
Exact Mass413.06
IUPAC Name[(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(Br)cn1)c1ccc(F)cc1F
InChIInChI=1S/C18H22BrF2NOSi/c1-18(2,3)24(4,5)23-17(16-9-6-12(19)11-22-16)14-8-7-13(20)10-15(14)21/h6-11,17H,1-5H3
InChIKeyYNXIYZSNRLZDMO-UHFFFAOYSA-N
XLogP6.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.37
LogP ≤ 56.23
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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 68880010
2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine
CID 144927611
tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane
CID 144927491
3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine
CID 77463781
(1R,2R)-1-(4-bromo-2-fluorophenyl)-1-[tert-butyl(dimethyl)silyl]oxypropane-2-sulfonamide
CID 140771365
[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 58257410
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol
CID 175109770
(2,4-difluorophenyl)-(5-methylpyrazin-2-yl)methanol
CID 105094711
1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
CID 107333370
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane (CID 174313006) is [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC(c1ccc(Br)cn1)c1ccc(F)cc1F.
What is the InChIKey of [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane?
The InChIKey is YNXIYZSNRLZDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrF2NOSi/c1-18(2,3)24(4,5)23-17(16-9-6-12(19)11-22-16)14-8-7-13(20)10-15(14)21/h6-11,17H,1-5H3.
What are the key properties of [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane?
[(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane has a molecular weight of 414.37 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 174313006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).