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

C39H39BrN4O2Si — CID 165028059

IUPAC5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane
SMILESC.C.Cc1ccc(-c2ccc(Br)c3c2oc2ncccc23)nc1.Cc1ccc(-c2ccc([Si](C)(C)C)c3c2oc2ncccc23)nc1
InChIInChI=1S/C20H20N2OSi.C17H11BrN2O.2CH4/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*1H4
InChIKeyMEXUUHJXSIDLCJ-UHFFFAOYSA-N
MW703.76 g/mol
LogP11.28
Rot. Bonds3

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

5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane (PubChem CID 165028059) has the molecular formula C39H39BrN4O2Si and a molecular weight of 703.76 g/mol. Its IUPAC name is 5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane.

Molecular Properties

Compound Name5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane
PubChem CID165028059
Molecular FormulaC39H39BrN4O2Si
Molecular Weight703.76 g/mol
Exact Mass702.20
IUPAC Name5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane
SMILESC.C.Cc1ccc(-c2ccc(Br)c3c2oc2ncccc23)nc1.Cc1ccc(-c2ccc([Si](C)(C)C)c3c2oc2ncccc23)nc1
InChIInChI=1S/C20H20N2OSi.C17H11BrN2O.2CH4/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*1H4
InChIKeyMEXUUHJXSIDLCJ-UHFFFAOYSA-N
XLogP11.28
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.76
LogP ≤ 511.28
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-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane with MolForge

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Related Compounds

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
5-bromo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-b]pyridine;2-bromo-5-(trideuteriomethyl)pyridine;5-bromo-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine;methane;fluoride
CID 165088855
trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-5-yl]silane
CID 164797075
5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733
5-methyl-7-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 161216048
trimethyl-[4-(5-propan-2-yl-2-pyridinyl)dibenzofuran-1-yl]silane
CID 155608517
trimethyl-[6-(5-methyl-2-pyridinyl)dibenzothiophen-1-yl]silane
CID 155608480
8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine
CID 157323519
8-(1,5-dimethylpyridin-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 153237527
CID 174116029
CID 174116029
trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane
CID 164796961
N-([1]benzofuro[2,3-b]pyridin-8-yl)acetamide;5-bromo-[1]benzofuro[2,3-b]pyridin-8-amine
CID 165103209

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane?
The IUPAC name of 5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane (CID 165028059) is 5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane.
What is the SMILES notation for 5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane?
The canonical SMILES for 5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane is C.C.Cc1ccc(-c2ccc(Br)c3c2oc2ncccc23)nc1.Cc1ccc(-c2ccc([Si](C)(C)C)c3c2oc2ncccc23)nc1.
What is the InChIKey of 5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane?
The InChIKey is MEXUUHJXSIDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OSi.C17H11BrN2O.2CH4/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*1H4.
What are the key properties of 5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane?
5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane has a molecular weight of 703.76 g/mol, XLogP of 11.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane is sourced from PubChem (CID 165028059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).