5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium

C16H16NS+ — CID 169055461

IUPAC5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium
SMILESCc1ccccc1-c1c2sccc2cc(C)[n+]1C
InChIInChI=1S/C16H16NS/c1-11-6-4-5-7-14(11)15-16-13(8-9-18-16)10-12(2)17(15)3/h4-10H,1-3H3/q+1
InChIKeyIUMFPTZRYIZRHU-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.01
Rot. Bonds1

About 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium

5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium (PubChem CID 169055461) has the molecular formula C16H16NS+ and a molecular weight of 254.38 g/mol. Its IUPAC name is 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium.

Molecular Properties

Compound Name5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium
PubChem CID169055461
Molecular FormulaC16H16NS+
Molecular Weight254.38 g/mol
Exact Mass254.10
IUPAC Name5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium
SMILESCc1ccccc1-c1c2sccc2cc(C)[n+]1C
InChIInChI=1S/C16H16NS/c1-11-6-4-5-7-14(11)15-16-13(8-9-18-16)10-12(2)17(15)3/h4-10H,1-3H3/q+1
InChIKeyIUMFPTZRYIZRHU-UHFFFAOYSA-N
XLogP4.01
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,6-dimethyl-2-(2-methylphenyl)-3,4-bis(trideuteriomethyl)pyridin-1-ium
CID 158964747
4-deuterio-6-fluoro-2,3-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 159041966
7-(5-fluoro-2-methylphenyl)-1-benzothiophene
CID 141220545
1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 169055448
1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944401
azuleno[1,2-b]thiophene
CID 5257479
ethane;7-methyl-1-benzothiophene
CID 143012583
1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944316
1,3,5-trimethyl-2-(2-methylphenyl)-6-(1,4,5-trimethylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944348
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
7-methyl-1-benzothiophen-5-ol
CID 54126935
7-methyl-1-benzothiophen-5-amine
CID 90308865

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium?
The IUPAC name of 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium (CID 169055461) is 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium.
What is the SMILES notation for 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium?
The canonical SMILES for 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium is Cc1ccccc1-c1c2sccc2cc(C)[n+]1C.
What is the InChIKey of 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium?
The InChIKey is IUMFPTZRYIZRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NS/c1-11-6-4-5-7-14(11)15-16-13(8-9-18-16)10-12(2)17(15)3/h4-10H,1-3H3/q+1.
What are the key properties of 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium?
5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium has a molecular weight of 254.38 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium is sourced from PubChem (CID 169055461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).