1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one

C10H9BrN2O2 — CID 117253980

IUPAC1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one
SMILESCC(=O)Cc1nc(Br)c2cc(O)ccn12
InChIInChI=1S/C10H9BrN2O2/c1-6(14)4-9-12-10(11)8-5-7(15)2-3-13(8)9/h2-3,5,15H,4H2,1H3
InChIKeyLGPMBICKNSEMTI-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.93
Rot. Bonds2

About 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one

1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one (PubChem CID 117253980) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one
PubChem CID117253980
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one
SMILESCC(=O)Cc1nc(Br)c2cc(O)ccn12
InChIInChI=1S/C10H9BrN2O2/c1-6(14)4-9-12-10(11)8-5-7(15)2-3-13(8)9/h2-3,5,15H,4H2,1H3
InChIKeyLGPMBICKNSEMTI-UHFFFAOYSA-N
XLogP1.93
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117254481
1-bromo-3-(2-hydroxyethyl)imidazo[1,5-a]pyridin-7-ol
CID 117251550
1-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridin-7-ol
CID 117253932
1-(7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117253978
1-bromo-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
CID 117252089
7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255464
7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255433
1-bromo-3-phenylimidazo[1,5-a]pyridin-7-ol
CID 117251893
7-hydroxy-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251556
1-bromo-3-(5-methylfuran-2-yl)imidazo[1,5-a]pyridin-7-ol
CID 117251733
1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117254007
2-(1,7-dibromoimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117253946

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one?
The IUPAC name of 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one (CID 117253980) is 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one.
What is the SMILES notation for 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one?
The canonical SMILES for 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one is CC(=O)Cc1nc(Br)c2cc(O)ccn12.
What is the InChIKey of 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one?
The InChIKey is LGPMBICKNSEMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-6(14)4-9-12-10(11)8-5-7(15)2-3-13(8)9/h2-3,5,15H,4H2,1H3.
What are the key properties of 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one?
1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one has a molecular weight of 269.10 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one is sourced from PubChem (CID 117253980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).