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

C10H9BrN2O — CID 117254007

IUPAC1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one
SMILESCC(=O)Cc1ncc2cc(Br)ccn12
InChIInChI=1S/C10H9BrN2O/c1-7(14)4-10-12-6-9-5-8(11)2-3-13(9)10/h2-3,5-6H,4H2,1H3
InChIKeyXHLCBGWOKUSRIK-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.23
Rot. Bonds2

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

1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one (PubChem CID 117254007) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one
PubChem CID117254007
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one
SMILESCC(=O)Cc1ncc2cc(Br)ccn12
InChIInChI=1S/C10H9BrN2O/c1-7(14)4-10-12-6-9-5-8(11)2-3-13(9)10/h2-3,5-6H,4H2,1H3
InChIKeyXHLCBGWOKUSRIK-UHFFFAOYSA-N
XLogP2.23
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one?
The IUPAC name of 1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one (CID 117254007) is 1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one.
What is the SMILES notation for 1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one?
The canonical SMILES for 1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one is CC(=O)Cc1ncc2cc(Br)ccn12.
What is the InChIKey of 1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one?
The InChIKey is XHLCBGWOKUSRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-7(14)4-10-12-6-9-5-8(11)2-3-13(9)10/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one?
1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one has a molecular weight of 253.10 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one is sourced from PubChem (CID 117254007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).