4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H12ClNS — CID 82087323

IUPAC4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESClc1cccc(C2NCCc3sccc32)c1
InChIInChI=1S/C13H12ClNS/c14-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-15-13/h1-3,5,7-8,13,15H,4,6H2
InChIKeySGGRXQLNFXCZMO-UHFFFAOYSA-N
MW249.77 g/mol
LogP3.64
Rot. Bonds1

About 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 82087323) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID82087323
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESClc1cccc(C2NCCc3sccc32)c1
InChIInChI=1S/C13H12ClNS/c14-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-15-13/h1-3,5,7-8,13,15H,4,6H2
InChIKeySGGRXQLNFXCZMO-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 82087323) is 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Clc1cccc(C2NCCc3sccc32)c1.
What is the InChIKey of 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is SGGRXQLNFXCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c14-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-15-13/h1-3,5,7-8,13,15H,4,6H2.
What are the key properties of 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 249.77 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 82087323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).