3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine

C12H11NOS — CID 141302485

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine
SMILESc1cncc(-c2cc3c(s2)CCOC3)c1
InChIInChI=1S/C12H11NOS/c1-2-9(7-13-4-1)12-6-10-8-14-5-3-11(10)15-12/h1-2,4,6-7H,3,5,8H2
InChIKeyLEGKQLZMXVFLKS-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.88
Rot. Bonds1

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine

3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine (PubChem CID 141302485) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine
PubChem CID141302485
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine
SMILESc1cncc(-c2cc3c(s2)CCOC3)c1
InChIInChI=1S/C12H11NOS/c1-2-9(7-13-4-1)12-6-10-8-14-5-3-11(10)15-12/h1-2,4,6-7H,3,5,8H2
InChIKeyLEGKQLZMXVFLKS-UHFFFAOYSA-N
XLogP2.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine (CID 141302485) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine is c1cncc(-c2cc3c(s2)CCOC3)c1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine?
The InChIKey is LEGKQLZMXVFLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-2-9(7-13-4-1)12-6-10-8-14-5-3-11(10)15-12/h1-2,4,6-7H,3,5,8H2.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine?
3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine has a molecular weight of 217.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)pyridine is sourced from PubChem (CID 141302485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).