6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile

C19H12N2S — CID 155043464

IUPAC6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile
SMILESCc1ccc(-c2cccc3c2sc2cc(C#N)ccc23)nc1
InChIInChI=1S/C19H12N2S/c1-12-5-8-17(21-11-12)16-4-2-3-15-14-7-6-13(10-20)9-18(14)22-19(15)16/h2-9,11H,1H3
InChIKeyJDMIVNWAGXZMLV-UHFFFAOYSA-N
MW300.39 g/mol
LogP5.30
Rot. Bonds1

About 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile

6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile (PubChem CID 155043464) has the molecular formula C19H12N2S and a molecular weight of 300.39 g/mol. Its IUPAC name is 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile.

Molecular Properties

Compound Name6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile
PubChem CID155043464
Molecular FormulaC19H12N2S
Molecular Weight300.39 g/mol
Exact Mass300.07
IUPAC Name6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile
SMILESCc1ccc(-c2cccc3c2sc2cc(C#N)ccc23)nc1
InChIInChI=1S/C19H12N2S/c1-12-5-8-17(21-11-12)16-4-2-3-15-14-7-6-13(10-20)9-18(14)22-19(15)16/h2-9,11H,1H3
InChIKeyJDMIVNWAGXZMLV-UHFFFAOYSA-N
XLogP5.30
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trimethyl-[6-(5-methyl-2-pyridinyl)dibenzothiophen-1-yl]silane
CID 155608480
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
CID 155612463
1-(6-phenyldibenzothiophen-3-yl)isoquinoline-6-carbonitrile
CID 172523599
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
trimethyl-(6-pyridin-2-yldibenzothiophen-3-yl)germane
CID 164832342
3-[6-(6,8-dimethylisoquinolin-3-yl)dibenzothiophen-4-yl]-6,8-dimethylisoquinoline
CID 171419630
trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane
CID 155608293
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine
CID 166577945
7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzothiophene-3-carbonitrile
CID 170251973
2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine
CID 162708578

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile?
The IUPAC name of 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile (CID 155043464) is 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile.
What is the SMILES notation for 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile?
The canonical SMILES for 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile is Cc1ccc(-c2cccc3c2sc2cc(C#N)ccc23)nc1.
What is the InChIKey of 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile?
The InChIKey is JDMIVNWAGXZMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2S/c1-12-5-8-17(21-11-12)16-4-2-3-15-14-7-6-13(10-20)9-18(14)22-19(15)16/h2-9,11H,1H3.
What are the key properties of 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile?
6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile is sourced from PubChem (CID 155043464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).