tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane

C12H19FINOSi — CID 162681170

IUPACtert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nccc(I)c1F
InChIInChI=1S/C12H19FINOSi/c1-12(2,3)17(4,5)16-8-10-11(13)9(14)6-7-15-10/h6-7H,8H2,1-5H3
InChIKeyYXPTZFUGQYYGFV-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.35
Rot. Bonds3

About tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane

tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane (PubChem CID 162681170) has the molecular formula C12H19FINOSi and a molecular weight of 367.28 g/mol. Its IUPAC name is tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane
PubChem CID162681170
Molecular FormulaC12H19FINOSi
Molecular Weight367.28 g/mol
Exact Mass367.03
IUPAC Nametert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nccc(I)c1F
InChIInChI=1S/C12H19FINOSi/c1-12(2,3)17(4,5)16-8-10-11(13)9(14)6-7-15-10/h6-7H,8H2,1-5H3
InChIKeyYXPTZFUGQYYGFV-UHFFFAOYSA-N
XLogP4.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane (CID 162681170) is tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1nccc(I)c1F.
What is the InChIKey of tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane?
The InChIKey is YXPTZFUGQYYGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FINOSi/c1-12(2,3)17(4,5)16-8-10-11(13)9(14)6-7-15-10/h6-7H,8H2,1-5H3.
What are the key properties of tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane?
tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane has a molecular weight of 367.28 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane is sourced from PubChem (CID 162681170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).