7,7a-dihydrothieno[2,3-b]pyridine

C7H7NS — CID 22507173

IUPAC7,7a-dihydrothieno[2,3-b]pyridine
SMILESC1=CNC2SC=CC2=C1
InChIInChI=1S/C7H7NS/c1-2-6-3-5-9-7(6)8-4-1/h1-5,7-8H
InChIKeyWZQAFBMFSLHVEP-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.62
Rot. Bonds

About 7,7a-dihydrothieno[2,3-b]pyridine

7,7a-dihydrothieno[2,3-b]pyridine (PubChem CID 22507173) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 7,7a-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name7,7a-dihydrothieno[2,3-b]pyridine
PubChem CID22507173
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name7,7a-dihydrothieno[2,3-b]pyridine
SMILESC1=CNC2SC=CC2=C1
InChIInChI=1S/C7H7NS/c1-2-6-3-5-9-7(6)8-4-1/h1-5,7-8H
InChIKeyWZQAFBMFSLHVEP-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,5-Tetrahydrothieno[3,4-c]pyridine
CID 17801431
5,6-Dihydrothieno[3,2-c]pyridine
CID 21958065
7,7a-Dihydrothiopyrano[2,3-b]pyrrole
CID 22556929
5,6-Dihydrothieno[2,3-c]pyridine
CID 69324466
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine
CID 69961869
5,7a-Dihydrothieno[3,2-c]pyridine
CID 91319826
3-Ethyl-2-methylsulfanyl-1,2-dihydropyridine
CID 124142756
2,3,7,7a-Tetrahydrothieno[2,3-b]pyridine
CID 130416371
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 140355253
2,6-Dihydrothieno[2,3-c]pyridine
CID 150892864
2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole
CID 167071691
CID 178817066
CID 178817066

Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydrothieno[2,3-b]pyridine?
The IUPAC name of 7,7a-dihydrothieno[2,3-b]pyridine (CID 22507173) is 7,7a-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for 7,7a-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for 7,7a-dihydrothieno[2,3-b]pyridine is C1=CNC2SC=CC2=C1.
What is the InChIKey of 7,7a-dihydrothieno[2,3-b]pyridine?
The InChIKey is WZQAFBMFSLHVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-2-6-3-5-9-7(6)8-4-1/h1-5,7-8H.
What are the key properties of 7,7a-dihydrothieno[2,3-b]pyridine?
7,7a-dihydrothieno[2,3-b]pyridine has a molecular weight of 137.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 22507173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).