1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone

C9H11BrN2O — CID 83649214

IUPAC1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C9H11BrN2O/c1-6(13)9-11-8(10)7-4-2-3-5-12(7)9/h2-5H2,1H3
InChIKeyQKKOKZDXCXZHJH-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.18
Rot. Bonds1

About 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone

1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone (PubChem CID 83649214) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone
PubChem CID83649214
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C9H11BrN2O/c1-6(13)9-11-8(10)7-4-2-3-5-12(7)9/h2-5H2,1H3
InChIKeyQKKOKZDXCXZHJH-UHFFFAOYSA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone (CID 83649214) is 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone is CC(=O)c1nc(Br)c2n1CCCC2.
What is the InChIKey of 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone?
The InChIKey is QKKOKZDXCXZHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(13)9-11-8(10)7-4-2-3-5-12(7)9/h2-5H2,1H3.
What are the key properties of 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone?
1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone has a molecular weight of 243.10 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 83649214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).