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

C9H11BrN2O — CID 83899582

IUPAC1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone
SMILESCC(=O)C1CCCc2c(Br)ncn21
InChIInChI=1S/C9H11BrN2O/c1-6(13)7-3-2-4-8-9(10)11-5-12(7)8/h5,7H,2-4H2,1H3
InChIKeyLMJLYHJIXKKMFM-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.11
Rot. Bonds1

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

1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone (PubChem CID 83899582) 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-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone
PubChem CID83899582
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone
SMILESCC(=O)C1CCCc2c(Br)ncn21
InChIInChI=1S/C9H11BrN2O/c1-6(13)7-3-2-4-8-9(10)11-5-12(7)8/h5,7H,2-4H2,1H3
InChIKeyLMJLYHJIXKKMFM-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117247809
ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 176763750
1-(3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone
CID 83881997
3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693098
methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247803
1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid
CID 82401160
1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
CID 79399962
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid
CID 83867591
6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrazin-4-one
CID 58849747
2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 83867314
trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol
CID 102735242
1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid
CID 82392830

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone?
The IUPAC name of 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone (CID 83899582) is 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone is CC(=O)C1CCCc2c(Br)ncn21.
What is the InChIKey of 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone?
The InChIKey is LMJLYHJIXKKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(13)7-3-2-4-8-9(10)11-5-12(7)8/h5,7H,2-4H2,1H3.
What are the key properties of 1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone?
1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone has a molecular weight of 243.10 g/mol, XLogP of 2.11, 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-5-yl)ethanone is sourced from PubChem (CID 83899582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).