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

C12H12F3NS — CID 59865664

IUPAC6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine
SMILESCC(C)(C)c1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C12H12F3NS/c1-11(2,3)7-6-9-8(4-5-17-9)16-10(7)12(13,14)15/h4-6H,1-3H3
InChIKeyIFADKDRLCOIGBP-UHFFFAOYSA-N
MW259.30 g/mol
LogP4.61
Rot. Bonds

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

6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine (PubChem CID 59865664) has the molecular formula C12H12F3NS and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine
PubChem CID59865664
Molecular FormulaC12H12F3NS
Molecular Weight259.30 g/mol
Exact Mass259.06
IUPAC Name6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine
SMILESCC(C)(C)c1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C12H12F3NS/c1-11(2,3)7-6-9-8(4-5-17-9)16-10(7)12(13,14)15/h4-6H,1-3H3
InChIKeyIFADKDRLCOIGBP-UHFFFAOYSA-N
XLogP4.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-3-methyl-benzo[4,5]thieno[2,3-c]pyridine
CID 12861807
5-Phenylthieno[3,2-b]pyridine
CID 24747710
1,3-Dimethyl-benzo[4,5]thieno[2,3-c]pyridine
CID 12861805
2-Phenyl-6-(2-thienyl)pyridine
CID 15423030
5-(Trifluoromethyl)thieno(3,2-b)pyridine
CID 22281768
2,6-Di(thiophen-3-yl)pyridine
CID 901578
2-Thiophen-2-yl-6-thiophen-3-ylpyridine
CID 24873912
2-Phenyl-6-thiophen-3-ylpyridine
CID 24873973
4-(Trifluoromethyl)thieno[3,2-c]quinoline
CID 134860530
2,6-Dimethyl-4-thiophen-3-ylpyridine
CID 2740726
6-Methylthieno[2,3-b]pyridine
CID 591050
5-Methylthieno[3,2-b]pyridine
CID 591057

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine?
The IUPAC name of 6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine (CID 59865664) is 6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine?
The canonical SMILES for 6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine is CC(C)(C)c1cc2sccc2nc1C(F)(F)F.
What is the InChIKey of 6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine?
The InChIKey is IFADKDRLCOIGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NS/c1-11(2,3)7-6-9-8(4-5-17-9)16-10(7)12(13,14)15/h4-6H,1-3H3.
What are the key properties of 6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine?
6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine has a molecular weight of 259.30 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-(trifluoromethyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 59865664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).