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

C13H14BrN3 — CID 117248475

IUPAC1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCc2c(Br)nc(-c3ccccn3)n2C1
InChIInChI=1S/C13H14BrN3/c1-9-5-6-11-12(14)16-13(17(11)8-9)10-4-2-3-7-15-10/h2-4,7,9H,5-6,8H2,1H3
InChIKeyVPDABBOYHBPRGT-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.29
Rot. Bonds1

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

1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117248475) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117248475
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCc2c(Br)nc(-c3ccccn3)n2C1
InChIInChI=1S/C13H14BrN3/c1-9-5-6-11-12(14)16-13(17(11)8-9)10-4-2-3-7-15-10/h2-4,7,9H,5-6,8H2,1H3
InChIKeyVPDABBOYHBPRGT-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117248475) is 1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCc2c(Br)nc(-c3ccccn3)n2C1.
What is the InChIKey of 1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is VPDABBOYHBPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-5-6-11-12(14)16-13(17(11)8-9)10-4-2-3-7-15-10/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 292.18 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117248475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).