1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C12H13BrN2O — CID 117249116

IUPAC1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(-c3ccco3)nc(Br)c2C1
InChIInChI=1S/C12H13BrN2O/c1-8-4-5-15-9(7-8)11(13)14-12(15)10-3-2-6-16-10/h2-3,6,8H,4-5,7H2,1H3
InChIKeyIPLLLCZSLCZHTO-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.49
Rot. Bonds1

About 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117249116) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117249116
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(-c3ccco3)nc(Br)c2C1
InChIInChI=1S/C12H13BrN2O/c1-8-4-5-15-9(7-8)11(13)14-12(15)10-3-2-6-16-10/h2-3,6,8H,4-5,7H2,1H3
InChIKeyIPLLLCZSLCZHTO-UHFFFAOYSA-N
XLogP3.49
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117249116) is 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCn2c(-c3ccco3)nc(Br)c2C1.
What is the InChIKey of 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is IPLLLCZSLCZHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-8-4-5-15-9(7-8)11(13)14-12(15)10-3-2-6-16-10/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 281.15 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117249116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).