[6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane

C11H9BrF9NSi — CID 11144563

IUPAC[6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1nc(Br)c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C11H9BrF9NSi/c1-23(2,3)8-6(14)4(5(13)7(12)22-8)9(15,10(16,17)18)11(19,20)21/h1-3H3
InChIKeyNDHHVLFVXUOIKC-UHFFFAOYSA-N
MW434.17 g/mol
LogP4.96
Rot. Bonds2

About [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane

[6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane (PubChem CID 11144563) has the molecular formula C11H9BrF9NSi and a molecular weight of 434.17 g/mol. Its IUPAC name is [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane
PubChem CID11144563
Molecular FormulaC11H9BrF9NSi
Molecular Weight434.17 g/mol
Exact Mass432.95
IUPAC Name[6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1nc(Br)c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C11H9BrF9NSi/c1-23(2,3)8-6(14)4(5(13)7(12)22-8)9(15,10(16,17)18)11(19,20)21/h1-3H3
InChIKeyNDHHVLFVXUOIKC-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.17
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane?
The IUPAC name of [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane (CID 11144563) is [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane is C[Si](C)(C)c1nc(Br)c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c1F.
What is the InChIKey of [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane?
The InChIKey is NDHHVLFVXUOIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF9NSi/c1-23(2,3)8-6(14)4(5(13)7(12)22-8)9(15,10(16,17)18)11(19,20)21/h1-3H3.
What are the key properties of [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane?
[6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane has a molecular weight of 434.17 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyridinyl]-trimethylsilane is sourced from PubChem (CID 11144563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).