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

C15H13BrN2 — CID 84744103

IUPAC3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine
SMILESCc1ccn2c(Cc3ccccc3)nc(Br)c2c1
InChIInChI=1S/C15H13BrN2/c1-11-7-8-18-13(9-11)15(16)17-14(18)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyMUCVIJXXKQEKLJ-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.00
Rot. Bonds2

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

3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine (PubChem CID 84744103) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine
PubChem CID84744103
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine
SMILESCc1ccn2c(Cc3ccccc3)nc(Br)c2c1
InChIInChI=1S/C15H13BrN2/c1-11-7-8-18-13(9-11)15(16)17-14(18)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyMUCVIJXXKQEKLJ-UHFFFAOYSA-N
XLogP4.00
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine?
The IUPAC name of 3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine (CID 84744103) is 3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine is Cc1ccn2c(Cc3ccccc3)nc(Br)c2c1.
What is the InChIKey of 3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine?
The InChIKey is MUCVIJXXKQEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-11-7-8-18-13(9-11)15(16)17-14(18)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine?
3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine has a molecular weight of 301.19 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 84744103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).