8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile

C23H24N3OSi+ — CID 170530605

IUPAC8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile
SMILESCc1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C#N)ccc23)cc1[Si](C)(C)C
InChIInChI=1S/C23H24N3OSi/c1-14-7-9-17-18-10-8-16(12-24)25-23(18)27-22(17)21(14)19-11-20(28(4,5)6)15(2)13-26(19)3/h7-11,13H,1-6H3/q+1
InChIKeyULMLLGAWYNZHHD-UHFFFAOYSA-N
MW386.55 g/mol
LogP4.51
Rot. Bonds2

About 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile

8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile (PubChem CID 170530605) has the molecular formula C23H24N3OSi+ and a molecular weight of 386.55 g/mol. Its IUPAC name is 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile
PubChem CID170530605
Molecular FormulaC23H24N3OSi+
Molecular Weight386.55 g/mol
Exact Mass386.17
IUPAC Name8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile
SMILESCc1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C#N)ccc23)cc1[Si](C)(C)C
InChIInChI=1S/C23H24N3OSi/c1-14-7-9-17-18-10-8-16(12-24)25-23(18)27-22(17)21(14)19-11-20(28(4,5)6)15(2)13-26(19)3/h7-11,13H,1-6H3/q+1
InChIKeyULMLLGAWYNZHHD-UHFFFAOYSA-N
XLogP4.51
TPSA53.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 140708097
2-tert-butyl-8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 157370919
6-(5-fluoro-1-methyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-naphthalen-1-yldibenzofuran-3-carbonitrile
CID 169283036
[7-methyl-8-[1-methyl-4,5-bis(trideuteriomethyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]-triphenylsilane
CID 172542803
8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 140708199
2,7-dimethyl-8-[1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 161317180
2-(2-deuteriopropan-2-yl)-8-[5-(2-deuteriopropan-2-yl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 157426142
2-tert-butyl-8-(1,4-dimethyl-5-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 167357555
4-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3,7-dimethyl-[1]benzofuro[2,3-b]quinoline
CID 157080211
8-[5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 140708094
8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 157321770
8-[4-(1-deuteriocyclopentyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 157151150

Frequently Asked Questions

What is the IUPAC name of 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile (CID 170530605) is 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile is Cc1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C#N)ccc23)cc1[Si](C)(C)C.
What is the InChIKey of 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile?
The InChIKey is ULMLLGAWYNZHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N3OSi/c1-14-7-9-17-18-10-8-16(12-24)25-23(18)27-22(17)21(14)19-11-20(28(4,5)6)15(2)13-26(19)3/h7-11,13H,1-6H3/q+1.
What are the key properties of 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile?
8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile has a molecular weight of 386.55 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 170530605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).