methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate

C9H7BrN2O2 — CID 57436260

IUPACmethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(Br)n2ccccc12
InChIInChI=1S/C9H7BrN2O2/c1-14-8(13)7-6-4-2-3-5-12(6)9(10)11-7/h2-5H,1H3
InChIKeyOTNDFIRYBNNQSB-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.88
Rot. Bonds1

About methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 57436260) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID57436260
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Namemethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(Br)n2ccccc12
InChIInChI=1S/C9H7BrN2O2/c1-14-8(13)7-6-4-2-3-5-12(6)9(10)11-7/h2-5H,1H3
InChIKeyOTNDFIRYBNNQSB-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate (CID 57436260) is methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(Br)n2ccccc12.
What is the InChIKey of methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is OTNDFIRYBNNQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-8(13)7-6-4-2-3-5-12(6)9(10)11-7/h2-5H,1H3.
What are the key properties of methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 255.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 57436260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).