4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C12H12N2S — CID 71741580

IUPAC4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1cncc(C2NCCc3sccc32)c1
InChIInChI=1S/C12H12N2S/c1-2-9(8-13-5-1)12-10-4-7-15-11(10)3-6-14-12/h1-2,4-5,7-8,12,14H,3,6H2
InChIKeyVFMHJJPZRDRFGU-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.38
Rot. Bonds1

About 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 71741580) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID71741580
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1cncc(C2NCCc3sccc32)c1
InChIInChI=1S/C12H12N2S/c1-2-9(8-13-5-1)12-10-4-7-15-11(10)3-6-14-12/h1-2,4-5,7-8,12,14H,3,6H2
InChIKeyVFMHJJPZRDRFGU-UHFFFAOYSA-N
XLogP2.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 71741580) is 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is c1cncc(C2NCCc3sccc32)c1.
What is the InChIKey of 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is VFMHJJPZRDRFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-9(8-13-5-1)12-10-4-7-15-11(10)3-6-14-12/h1-2,4-5,7-8,12,14H,3,6H2.
What are the key properties of 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 216.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 71741580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).