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'}

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Related Compounds

[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazin-2-yl]methanamine
CID 66455969
5-(6-phenylpyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 166201249
5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 113378829
5-[3-(chloromethyl)isoquinolin-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 61256577
4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine
CID 66465504
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpyridin-2-amine
CID 80764887
2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine
CID 66466862
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80764293
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917
1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine
CID 114925026
5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62868181
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1H-1,2,4-triazol-5-amine
CID 66276232

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).