7-chloro-3a,6-dihydrothieno[3,2-b]pyridine

C7H6ClNS — CID 90884680

IUPAC7-chloro-3a,6-dihydrothieno[3,2-b]pyridine
SMILESClC1=C2SC=CC2N=CC1
InChIInChI=1S/C7H6ClNS/c8-5-1-3-9-6-2-4-10-7(5)6/h2-4,6H,1H2
InChIKeyGUDMOVKLVMLABC-UHFFFAOYSA-N
MW171.65 g/mol
LogP2.54
Rot. Bonds

About 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine

7-chloro-3a,6-dihydrothieno[3,2-b]pyridine (PubChem CID 90884680) has the molecular formula C7H6ClNS and a molecular weight of 171.65 g/mol. Its IUPAC name is 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-3a,6-dihydrothieno[3,2-b]pyridine
PubChem CID90884680
Molecular FormulaC7H6ClNS
Molecular Weight171.65 g/mol
Exact Mass170.99
IUPAC Name7-chloro-3a,6-dihydrothieno[3,2-b]pyridine
SMILESClC1=C2SC=CC2N=CC1
InChIInChI=1S/C7H6ClNS/c8-5-1-3-9-6-2-4-10-7(5)6/h2-4,6H,1H2
InChIKeyGUDMOVKLVMLABC-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Chloro-3a,7a-dihydrothieno[3,2-b]pyridine
CID 57919575
3a,7a-Dihydrothieno[3,2-b]pyridine
CID 58999796
3a,6-Dihydrothieno[3,2-b]pyridine
CID 91369453

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine?
The IUPAC name of 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine (CID 90884680) is 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine.
What is the SMILES notation for 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine?
The canonical SMILES for 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine is ClC1=C2SC=CC2N=CC1.
What is the InChIKey of 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine?
The InChIKey is GUDMOVKLVMLABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNS/c8-5-1-3-9-6-2-4-10-7(5)6/h2-4,6H,1H2.
What are the key properties of 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine?
7-chloro-3a,6-dihydrothieno[3,2-b]pyridine has a molecular weight of 171.65 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3a,6-dihydrothieno[3,2-b]pyridine is sourced from PubChem (CID 90884680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).