1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine

C13H11BrN2S — CID 117252348

IUPAC1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine
SMILESCc1ccc(-c2nc(Br)c3c(C)cccn23)s1
InChIInChI=1S/C13H11BrN2S/c1-8-4-3-7-16-11(8)12(14)15-13(16)10-6-5-9(2)17-10/h3-7H,1-2H3
InChIKeyXIPVGVBSBIJHGH-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.44
Rot. Bonds1

About 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine

1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine (PubChem CID 117252348) has the molecular formula C13H11BrN2S and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine
PubChem CID117252348
Molecular FormulaC13H11BrN2S
Molecular Weight307.22 g/mol
Exact Mass305.98
IUPAC Name1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine
SMILESCc1ccc(-c2nc(Br)c3c(C)cccn23)s1
InChIInChI=1S/C13H11BrN2S/c1-8-4-3-7-16-11(8)12(14)15-13(16)10-6-5-9(2)17-10/h3-7H,1-2H3
InChIKeyXIPVGVBSBIJHGH-UHFFFAOYSA-N
XLogP4.44
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine (CID 117252348) is 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine is Cc1ccc(-c2nc(Br)c3c(C)cccn23)s1.
What is the InChIKey of 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine?
The InChIKey is XIPVGVBSBIJHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2S/c1-8-4-3-7-16-11(8)12(14)15-13(16)10-6-5-9(2)17-10/h3-7H,1-2H3.
What are the key properties of 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine?
1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine has a molecular weight of 307.22 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117252348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).