[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

C19H23BrFN3OSi — CID 140798336

IUPAC[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3c(F)cc(Br)cc32)n1
InChIInChI=1S/C19H23BrFN3OSi/c1-19(2,3)26(4,5)25-12-14-7-6-8-18(23-14)24-17-10-13(20)9-16(21)15(17)11-22-24/h6-11H,12H2,1-5H3
InChIKeyVNNZZPKYEIKOSL-UHFFFAOYSA-N
MW436.40 g/mol
LogP5.84
Rot. Bonds4

About [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 140798336) has the molecular formula C19H23BrFN3OSi and a molecular weight of 436.40 g/mol. Its IUPAC name is [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
PubChem CID140798336
Molecular FormulaC19H23BrFN3OSi
Molecular Weight436.40 g/mol
Exact Mass435.08
IUPAC Name[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3c(F)cc(Br)cc32)n1
InChIInChI=1S/C19H23BrFN3OSi/c1-19(2,3)26(4,5)25-12-14-7-6-8-18(23-14)24-17-10-13(20)9-16(21)15(17)11-22-24/h6-11H,12H2,1-5H3
InChIKeyVNNZZPKYEIKOSL-UHFFFAOYSA-N
XLogP5.84
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.40
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (CID 140798336) is [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3c(F)cc(Br)cc32)n1.
What is the InChIKey of [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is VNNZZPKYEIKOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrFN3OSi/c1-19(2,3)26(4,5)25-12-14-7-6-8-18(23-14)24-17-10-13(20)9-16(21)15(17)11-22-24/h6-11H,12H2,1-5H3.
What are the key properties of [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 436.40 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140798336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).