(5-iodoindazol-1-yl)-tri(propan-2-yl)silane

C16H25IN2Si — CID 67044267

IUPAC(5-iodoindazol-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(I)ccc21
InChIInChI=1S/C16H25IN2Si/c1-11(2)20(12(3)4,13(5)6)19-16-8-7-15(17)9-14(16)10-18-19/h7-13H,1-6H3
InChIKeyOCZOQRNOXOUCPS-UHFFFAOYSA-N
MW400.38 g/mol
LogP5.66
Rot. Bonds4

About (5-iodoindazol-1-yl)-tri(propan-2-yl)silane

(5-iodoindazol-1-yl)-tri(propan-2-yl)silane (PubChem CID 67044267) has the molecular formula C16H25IN2Si and a molecular weight of 400.38 g/mol. Its IUPAC name is (5-iodoindazol-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5-iodoindazol-1-yl)-tri(propan-2-yl)silane
PubChem CID67044267
Molecular FormulaC16H25IN2Si
Molecular Weight400.38 g/mol
Exact Mass400.08
IUPAC Name(5-iodoindazol-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(I)ccc21
InChIInChI=1S/C16H25IN2Si/c1-11(2)20(12(3)4,13(5)6)19-16-8-7-15(17)9-14(16)10-18-19/h7-13H,1-6H3
InChIKeyOCZOQRNOXOUCPS-UHFFFAOYSA-N
XLogP5.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.38
LogP ≤ 55.66
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 (5-iodoindazol-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of (5-iodoindazol-1-yl)-tri(propan-2-yl)silane (CID 67044267) is (5-iodoindazol-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (5-iodoindazol-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (5-iodoindazol-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(I)ccc21.
What is the InChIKey of (5-iodoindazol-1-yl)-tri(propan-2-yl)silane?
The InChIKey is OCZOQRNOXOUCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2Si/c1-11(2)20(12(3)4,13(5)6)19-16-8-7-15(17)9-14(16)10-18-19/h7-13H,1-6H3.
What are the key properties of (5-iodoindazol-1-yl)-tri(propan-2-yl)silane?
(5-iodoindazol-1-yl)-tri(propan-2-yl)silane has a molecular weight of 400.38 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodoindazol-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 67044267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).