5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C12H12ClN3S — CID 66466630

IUPAC5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClCc1cncc(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H12ClN3S/c13-5-10-6-14-7-12(15-10)16-3-1-11-9(8-16)2-4-17-11/h2,4,6-7H,1,3,5,8H2
InChIKeyYPFCUACGVAIFNZ-UHFFFAOYSA-N
MW265.77 g/mol
LogP2.84
Rot. Bonds2

About 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 66466630) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID66466630
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClCc1cncc(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H12ClN3S/c13-5-10-6-14-7-12(15-10)16-3-1-11-9(8-16)2-4-17-11/h2,4,6-7H,1,3,5,8H2
InChIKeyYPFCUACGVAIFNZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 66466630) is 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is ClCc1cncc(N2CCc3sccc3C2)n1.
What is the InChIKey of 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is YPFCUACGVAIFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c13-5-10-6-14-7-12(15-10)16-3-1-11-9(8-16)2-4-17-11/h2,4,6-7H,1,3,5,8H2.
What are the key properties of 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 265.77 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 66466630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).