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

C12H9ClF3N3S — CID 106767026

IUPAC5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)c1nc(Cl)cc(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H9ClF3N3S/c13-9-5-10(18-11(17-9)12(14,15)16)19-3-1-8-7(6-19)2-4-20-8/h2,4-5H,1,3,6H2
InChIKeyVGFJGVSQAXJWTN-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.77
Rot. Bonds1

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

5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 106767026) has the molecular formula C12H9ClF3N3S and a molecular weight of 319.74 g/mol. Its IUPAC name is 5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID106767026
Molecular FormulaC12H9ClF3N3S
Molecular Weight319.74 g/mol
Exact Mass319.02
IUPAC Name5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)c1nc(Cl)cc(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H9ClF3N3S/c13-9-5-10(18-11(17-9)12(14,15)16)19-3-1-8-7(6-19)2-4-20-8/h2,4-5H,1,3,6H2
InChIKeyVGFJGVSQAXJWTN-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 106767026) is 5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is FC(F)(F)c1nc(Cl)cc(N2CCc3sccc3C2)n1.
What is the InChIKey of 5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is VGFJGVSQAXJWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3S/c13-9-5-10(18-11(17-9)12(14,15)16)19-3-1-8-7(6-19)2-4-20-8/h2,4-5H,1,3,6H2.
What are the key properties of 5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 319.74 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 106767026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).