2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine

C18H13NS — CID 155612463

IUPAC2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)sc1c(-c3ccccn3)cccc12
InChIInChI=1S/C18H13NS/c1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12/h2-11H,1H3/i1D3
InChIKeyWYUHJVZZOQKTOH-FIBGUPNXSA-N
MW278.39 g/mol
LogP5.42
Rot. Bonds2

About 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine

2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine (PubChem CID 155612463) has the molecular formula C18H13NS and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine.

Molecular Properties

Compound Name2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
PubChem CID155612463
Molecular FormulaC18H13NS
Molecular Weight278.39 g/mol
Exact Mass278.10
IUPAC Name2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)sc1c(-c3ccccn3)cccc12
InChIInChI=1S/C18H13NS/c1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12/h2-11H,1H3/i1D3
InChIKeyWYUHJVZZOQKTOH-FIBGUPNXSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-(6-pyridin-2-yldibenzothiophen-3-yl)germane
CID 164832342
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
2-(8-isocyanodibenzothiophen-4-yl)pyridine
CID 154616023
6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile
CID 155043464
trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane
CID 155608293
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640
trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-3-yl]phenyl]germane
CID 164832502
4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
CID 166574277
6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine
CID 102496572
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
CID 165170727

Frequently Asked Questions

What is the IUPAC name of 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine?
The IUPAC name of 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine (CID 155612463) is 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine.
What is the SMILES notation for 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine?
The canonical SMILES for 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine is [2H]C([2H])([2H])c1ccc2c(c1)sc1c(-c3ccccn3)cccc12.
What is the InChIKey of 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine?
The InChIKey is WYUHJVZZOQKTOH-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H13NS/c1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12/h2-11H,1H3/i1D3.
What are the key properties of 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine?
2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine has a molecular weight of 278.39 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine is sourced from PubChem (CID 155612463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).