2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine

C22H17NOS — CID 168829951

IUPAC2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine
SMILESCc1ccc(-c2cccc3c2oc2cc4c(C)c(C)sc4cc23)nc1
InChIInChI=1S/C22H17NOS/c1-12-7-8-19(23-11-12)16-6-4-5-15-18-10-21-17(13(2)14(3)25-21)9-20(18)24-22(15)16/h4-11H,1-3H3
InChIKeyGGJDQOQBQJTFGG-UHFFFAOYSA-N
MW343.45 g/mol
LogP6.79
Rot. Bonds1

About 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine

2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine (PubChem CID 168829951) has the molecular formula C22H17NOS and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine.

Molecular Properties

Compound Name2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine
PubChem CID168829951
Molecular FormulaC22H17NOS
Molecular Weight343.45 g/mol
Exact Mass343.10
IUPAC Name2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine
SMILESCc1ccc(-c2cccc3c2oc2cc4c(C)c(C)sc4cc23)nc1
InChIInChI=1S/C22H17NOS/c1-12-7-8-19(23-11-12)16-6-4-5-15-18-10-21-17(13(2)14(3)25-21)9-20(18)24-22(15)16/h4-11H,1-3H3
InChIKeyGGJDQOQBQJTFGG-UHFFFAOYSA-N
XLogP6.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
CID 168829551
2-(8-methyldibenzofuran-4-yl)-5-propan-2-ylpyridine
CID 176637472
2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
CID 168829634
2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine
CID 168829258
3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
trimethyl-[4-(5-methyl-2-pyridinyl)dibenzofuran-2-yl]silane
CID 164796799
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733
3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
CID 154588250
CID 174116029
CID 174116029
5-tert-butyl-2-(1,2-dimethyl-[1]benzothiolo[5,4-b][1]benzofuran-7-yl)-4-(2,6-dimethylphenyl)pyridine
CID 168829219
4-tert-butyl-2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-5-methylpyridine
CID 168829853

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine?
The IUPAC name of 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine (CID 168829951) is 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine.
What is the SMILES notation for 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine?
The canonical SMILES for 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine is Cc1ccc(-c2cccc3c2oc2cc4c(C)c(C)sc4cc23)nc1.
What is the InChIKey of 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine?
The InChIKey is GGJDQOQBQJTFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOS/c1-12-7-8-19(23-11-12)16-6-4-5-15-18-10-21-17(13(2)14(3)25-21)9-20(18)24-22(15)16/h4-11H,1-3H3.
What are the key properties of 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine?
2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine has a molecular weight of 343.45 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine is sourced from PubChem (CID 168829951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).