6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine

C9H6F3NS — CID 59866219

IUPAC6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine
SMILESCc1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C9H6F3NS/c1-5-4-7-6(2-3-14-7)13-8(5)9(10,11)12/h2-4H,1H3
InChIKeyJERTYXHIBXIJJS-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.62
Rot. Bonds

About 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine

6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine (PubChem CID 59866219) has the molecular formula C9H6F3NS and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine
PubChem CID59866219
Molecular FormulaC9H6F3NS
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine
SMILESCc1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C9H6F3NS/c1-5-4-7-6(2-3-14-7)13-8(5)9(10,11)12/h2-4H,1H3
InChIKeyJERTYXHIBXIJJS-UHFFFAOYSA-N
XLogP3.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine?
The IUPAC name of 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine (CID 59866219) is 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine is Cc1cc2sccc2nc1C(F)(F)F.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine?
The InChIKey is JERTYXHIBXIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NS/c1-5-4-7-6(2-3-14-7)13-8(5)9(10,11)12/h2-4H,1H3.
What are the key properties of 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine?
6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine has a molecular weight of 217.22 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(trifluoromethyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 59866219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).