5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C13H10ClF3N2S — CID 26040094

IUPAC5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)c1cnc(N2CCc3sccc3C2)c(Cl)c1
InChIInChI=1S/C13H10ClF3N2S/c14-10-5-9(13(15,16)17)6-18-12(10)19-3-1-11-8(7-19)2-4-20-11/h2,4-6H,1,3,7H2
InChIKeyXLWODONEZGTYNH-UHFFFAOYSA-N
MW318.75 g/mol
LogP4.38
Rot. Bonds1

About 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 26040094) has the molecular formula C13H10ClF3N2S and a molecular weight of 318.75 g/mol. Its IUPAC name is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID26040094
Molecular FormulaC13H10ClF3N2S
Molecular Weight318.75 g/mol
Exact Mass318.02
IUPAC Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)c1cnc(N2CCc3sccc3C2)c(Cl)c1
InChIInChI=1S/C13H10ClF3N2S/c14-10-5-9(13(15,16)17)6-18-12(10)19-3-1-11-8(7-19)2-4-20-11/h2,4-6H,1,3,7H2
InChIKeyXLWODONEZGTYNH-UHFFFAOYSA-N
XLogP4.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 26040094) is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is FC(F)(F)c1cnc(N2CCc3sccc3C2)c(Cl)c1.
What is the InChIKey of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is XLWODONEZGTYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2S/c14-10-5-9(13(15,16)17)6-18-12(10)19-3-1-11-8(7-19)2-4-20-11/h2,4-6H,1,3,7H2.
What are the key properties of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 318.75 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 26040094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).