7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine

C6H4BrN3OS — CID 149181208

IUPAC7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESCOc1ncc(Br)c2nsnc12
InChIInChI=1S/C6H4BrN3OS/c1-11-6-5-4(9-12-10-5)3(7)2-8-6/h2H,1H3
InChIKeyXAZOAYIMMQVGIY-UHFFFAOYSA-N
MW246.09 g/mol
LogP1.86
Rot. Bonds1

About 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine

7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine (PubChem CID 149181208) has the molecular formula C6H4BrN3OS and a molecular weight of 246.09 g/mol. Its IUPAC name is 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine
PubChem CID149181208
Molecular FormulaC6H4BrN3OS
Molecular Weight246.09 g/mol
Exact Mass244.93
IUPAC Name7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESCOc1ncc(Br)c2nsnc12
InChIInChI=1S/C6H4BrN3OS/c1-11-6-5-4(9-12-10-5)3(7)2-8-6/h2H,1H3
InChIKeyXAZOAYIMMQVGIY-UHFFFAOYSA-N
XLogP1.86
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-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 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine?
The IUPAC name of 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine (CID 149181208) is 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine.
What is the SMILES notation for 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine?
The canonical SMILES for 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine is COc1ncc(Br)c2nsnc12.
What is the InChIKey of 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine?
The InChIKey is XAZOAYIMMQVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3OS/c1-11-6-5-4(9-12-10-5)3(7)2-8-6/h2H,1H3.
What are the key properties of 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine?
7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine has a molecular weight of 246.09 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine is sourced from PubChem (CID 149181208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).