tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane

C17H25F3N2Si — CID 46318196

IUPACtri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C17H25F3N2Si/c1-11(2)23(12(3)4,13(5)6)22-8-7-14-9-15(17(18,19)20)10-21-16(14)22/h7-13H,1-6H3
InChIKeyGESOHXDEZSURSM-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.08
Rot. Bonds4

About tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane

tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane (PubChem CID 46318196) has the molecular formula C17H25F3N2Si and a molecular weight of 342.48 g/mol. Its IUPAC name is tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
PubChem CID46318196
Molecular FormulaC17H25F3N2Si
Molecular Weight342.48 g/mol
Exact Mass342.17
IUPAC Nametri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C17H25F3N2Si/c1-11(2)23(12(3)4,13(5)6)22-8-7-14-9-15(17(18,19)20)10-21-16(14)22/h7-13H,1-6H3
InChIKeyGESOHXDEZSURSM-UHFFFAOYSA-N
XLogP6.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane?
The IUPAC name of tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane (CID 46318196) is tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane.
What is the SMILES notation for tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane?
The canonical SMILES for tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C(F)(F)F)cnc21.
What is the InChIKey of tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane?
The InChIKey is GESOHXDEZSURSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2Si/c1-11(2)23(12(3)4,13(5)6)22-8-7-14-9-15(17(18,19)20)10-21-16(14)22/h7-13H,1-6H3.
What are the key properties of tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane?
tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane has a molecular weight of 342.48 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane is sourced from PubChem (CID 46318196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).