3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine

C12H14BrN3 — CID 117254173

IUPAC3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine
SMILESCc1ccn2c(CC3CNC3)nc(Br)c2c1
InChIInChI=1S/C12H14BrN3/c1-8-2-3-16-10(4-8)12(13)15-11(16)5-9-6-14-7-9/h2-4,9,14H,5-7H2,1H3
InChIKeyRFCHBIFLQUDBPM-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.17
Rot. Bonds2

About 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine

3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine (PubChem CID 117254173) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine
PubChem CID117254173
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine
SMILESCc1ccn2c(CC3CNC3)nc(Br)c2c1
InChIInChI=1S/C12H14BrN3/c1-8-2-3-16-10(4-8)12(13)15-11(16)5-9-6-14-7-9/h2-4,9,14H,5-7H2,1H3
InChIKeyRFCHBIFLQUDBPM-UHFFFAOYSA-N
XLogP2.17
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine?
The IUPAC name of 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine (CID 117254173) is 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine is Cc1ccn2c(CC3CNC3)nc(Br)c2c1.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine?
The InChIKey is RFCHBIFLQUDBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-2-3-16-10(4-8)12(13)15-11(16)5-9-6-14-7-9/h2-4,9,14H,5-7H2,1H3.
What are the key properties of 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine?
3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine has a molecular weight of 280.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 117254173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).