5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride

C37H32BrF2N4O2Si- — CID 164977012

IUPAC5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride
SMILESF.[2H]C([2H])([2H])c1ccc(-c2ccc(Br)c3c2oc2ncccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2ccc([Si](C)(C)C)c3c2oc2ncccc23)nc1.[F-]
InChIInChI=1S/C20H20N2OSi.C17H11BrN2O.2FH/c1-13-7-9-16(22-12-13)14-8-10-17(24(2,3)4)18-15-6-5-11-21-20(15)23-19(14)18;1-10-4-7-14(20-9-10)11-5-6-13(18)15-12-3-2-8-19-17(12)21-16(11)15;;/h5-12H,1-4H3;2-9H,1H3;2*1H/p-1/i2*1D3;;
InChIKeyDXVBRZQZOKIYCK-NAXAOJHISA-M
MW716.71 g/mol
LogP7.17
Rot. Bonds5

About 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride

5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride (PubChem CID 164977012) has the molecular formula C37H32BrF2N4O2Si- and a molecular weight of 716.71 g/mol. Its IUPAC name is 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride.

Molecular Properties

Compound Name5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride
PubChem CID164977012
Molecular FormulaC37H32BrF2N4O2Si-
Molecular Weight716.71 g/mol
Exact Mass715.18
IUPAC Name5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride
SMILESF.[2H]C([2H])([2H])c1ccc(-c2ccc(Br)c3c2oc2ncccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2ccc([Si](C)(C)C)c3c2oc2ncccc23)nc1.[F-]
InChIInChI=1S/C20H20N2OSi.C17H11BrN2O.2FH/c1-13-7-9-16(22-12-13)14-8-10-17(24(2,3)4)18-15-6-5-11-21-20(15)23-19(14)18;1-10-4-7-14(20-9-10)11-5-6-13(18)15-12-3-2-8-19-17(12)21-16(11)15;;/h5-12H,1-4H3;2-9H,1H3;2*1H/p-1/i2*1D3;;
InChIKeyDXVBRZQZOKIYCK-NAXAOJHISA-M
XLogP7.17
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.71
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride?
The IUPAC name of 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride (CID 164977012) is 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride.
What is the SMILES notation for 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride?
The canonical SMILES for 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride is F.[2H]C([2H])([2H])c1ccc(-c2ccc(Br)c3c2oc2ncccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2ccc([Si](C)(C)C)c3c2oc2ncccc23)nc1.[F-].
What is the InChIKey of 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride?
The InChIKey is DXVBRZQZOKIYCK-NAXAOJHISA-M. The full InChI is InChI=1S/C20H20N2OSi.C17H11BrN2O.2FH/c1-13-7-9-16(22-12-13)14-8-10-17(24(2,3)4)18-15-6-5-11-21-20(15)23-19(14)18;1-10-4-7-14(20-9-10)11-5-6-13(18)15-12-3-2-8-19-17(12)21-16(11)15;;/h5-12H,1-4H3;2-9H,1H3;2*1H/p-1/i2*1D3;;.
What are the key properties of 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride?
5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride has a molecular weight of 716.71 g/mol, XLogP of 7.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;trimethyl-[8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridin-5-yl]silane;fluoride;hydrofluoride is sourced from PubChem (CID 164977012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).