methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate

C10H10BrN3O2 — CID 117254883

IUPACmethyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CN)n2cccc(Br)c12
InChIInChI=1S/C10H10BrN3O2/c1-16-10(15)8-9-6(11)3-2-4-14(9)7(5-12)13-8/h2-4H,5,12H2,1H3
InChIKeyQFOQJGBIFSJSFO-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.34
Rot. Bonds2

About methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254883) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254883
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Namemethyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CN)n2cccc(Br)c12
InChIInChI=1S/C10H10BrN3O2/c1-16-10(15)8-9-6(11)3-2-4-14(9)7(5-12)13-8/h2-4H,5,12H2,1H3
InChIKeyQFOQJGBIFSJSFO-UHFFFAOYSA-N
XLogP1.34
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate (CID 117254883) is methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CN)n2cccc(Br)c12.
What is the InChIKey of methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is QFOQJGBIFSJSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-16-10(15)8-9-6(11)3-2-4-14(9)7(5-12)13-8/h2-4H,5,12H2,1H3.
What are the key properties of methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 284.11 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).