(6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane

C16H25BrN2Si — CID 87769777

IUPAC(6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1cc(Br)nc2[nH]ccc12)(C(C)C)C(C)C
InChIInChI=1S/C16H25BrN2Si/c1-10(2)20(11(3)4,12(5)6)14-9-15(17)19-16-13(14)7-8-18-16/h7-12H,1-6H3,(H,18,19)
InChIKeyIYALKTOIIAWALD-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.21
Rot. Bonds4

About (6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane

(6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane (PubChem CID 87769777) has the molecular formula C16H25BrN2Si and a molecular weight of 353.38 g/mol. Its IUPAC name is (6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane
PubChem CID87769777
Molecular FormulaC16H25BrN2Si
Molecular Weight353.38 g/mol
Exact Mass352.10
IUPAC Name(6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1cc(Br)nc2[nH]ccc12)(C(C)C)C(C)C
InChIInChI=1S/C16H25BrN2Si/c1-10(2)20(11(3)4,12(5)6)14-9-15(17)19-16-13(14)7-8-18-16/h7-12H,1-6H3,(H,18,19)
InChIKeyIYALKTOIIAWALD-UHFFFAOYSA-N
XLogP5.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
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-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane?
The IUPAC name of (6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane (CID 87769777) is (6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane is CC(C)[Si](c1cc(Br)nc2[nH]ccc12)(C(C)C)C(C)C.
What is the InChIKey of (6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane?
The InChIKey is IYALKTOIIAWALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2Si/c1-10(2)20(11(3)4,12(5)6)14-9-15(17)19-16-13(14)7-8-18-16/h7-12H,1-6H3,(H,18,19).
What are the key properties of (6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane?
(6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane has a molecular weight of 353.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 87769777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).