methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate

C10H9BrN2O2 — CID 131442882

IUPACmethyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C)n2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O2/c1-6-12-9(10(14)15-2)8-5-7(11)3-4-13(6)8/h3-5H,1-2H3
InChIKeyRGRLDJBXFNCITJ-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.19
Rot. Bonds1

About methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate

methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 131442882) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID131442882
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Namemethyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C)n2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O2/c1-6-12-9(10(14)15-2)8-5-7(11)3-4-13(6)8/h3-5H,1-2H3
InChIKeyRGRLDJBXFNCITJ-UHFFFAOYSA-N
XLogP2.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate (CID 131442882) is methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C)n2ccc(Br)cc12.
What is the InChIKey of methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is RGRLDJBXFNCITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-6-12-9(10(14)15-2)8-5-7(11)3-4-13(6)8/h3-5H,1-2H3.
What are the key properties of methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate?
methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 269.10 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 131442882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).