[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane

C15H22BrF2NOSi — CID 155595310

IUPAC[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(Br)cn2)CC(F)(F)C1
InChIInChI=1S/C15H22BrF2NOSi/c1-13(2,3)21(4,5)20-14(9-15(17,18)10-14)12-7-6-11(16)8-19-12/h6-8H,9-10H2,1-5H3
InChIKeyMWRNKXCVKLDDHG-UHFFFAOYSA-N
MW378.33 g/mol
LogP5.49
Rot. Bonds3

About [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane

[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane (PubChem CID 155595310) has the molecular formula C15H22BrF2NOSi and a molecular weight of 378.33 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane
PubChem CID155595310
Molecular FormulaC15H22BrF2NOSi
Molecular Weight378.33 g/mol
Exact Mass377.06
IUPAC Name[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(Br)cn2)CC(F)(F)C1
InChIInChI=1S/C15H22BrF2NOSi/c1-13(2,3)21(4,5)20-14(9-15(17,18)10-14)12-7-6-11(16)8-19-12/h6-8H,9-10H2,1-5H3
InChIKeyMWRNKXCVKLDDHG-UHFFFAOYSA-N
XLogP5.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.33
LogP ≤ 55.49
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

2-(4-Bromopyridin-2-yl)propan-2-ol
CID 22391969
4-Bromo-2-(((tert-butyldimethylsilyl)oxy)methyl)pyridine
CID 58355029
2-(5-Bromo-3-fluoropyridin-2-yl)propan-2-ol
CID 67295046
1-(5-Bromopyridin-2-yl)cyclopentan-1-ol
CID 69060998
2-(2,2,2-Trifluoro-1-(trifluoromethyl)-1-((trimethylsilyl)oxy)ethyl)pyridine
CID 12179444
Trimethyl-(2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethoxy)silane
CID 11163162
Trimethyl-(2,2,2-trifluoro-1,1-dipyridin-2-ylethoxy)silane
CID 11484203
[2-(5-Bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
CID 59769740
4-Methyl-2-(2,2,2-trifluoro-1-methyl-1-trimethylsilanyloxy-ethyl)pyridine
CID 68293914
5-Bromo-2-(1-(tert-butyldimethylsilyloxy)-2,2,2-trifluoroethyl)-4-methylpyridine
CID 71115027
1-(5-Bromo-4-methylpyridin-2-yl)-2,2,2-trifluoroethane-1,1-diol
CID 71115050
1,1,1-Trifluoro-2-pyridin-2-ylbutan-2-ol
CID 83957743

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane (CID 155595310) is [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1(c2ccc(Br)cn2)CC(F)(F)C1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MWRNKXCVKLDDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF2NOSi/c1-13(2,3)21(4,5)20-14(9-15(17,18)10-14)12-7-6-11(16)8-19-12/h6-8H,9-10H2,1-5H3.
What are the key properties of [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane?
[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 378.33 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 155595310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).