5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one

C12H8BrN3O — CID 71295596

IUPAC5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1-c1cn2ccccc2n1
InChIInChI=1S/C12H8BrN3O/c13-8-5-9(12(17)14-6-8)10-7-16-4-2-1-3-11(16)15-10/h1-7H,(H,14,17)
InChIKeyNMNNRBHQHJCVID-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.45
Rot. Bonds1

About 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one

5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one (PubChem CID 71295596) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one
PubChem CID71295596
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1-c1cn2ccccc2n1
InChIInChI=1S/C12H8BrN3O/c13-8-5-9(12(17)14-6-8)10-7-16-4-2-1-3-11(16)15-10/h1-7H,(H,14,17)
InChIKeyNMNNRBHQHJCVID-UHFFFAOYSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Exemplary Synthetic Procedure #22
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N-benzyl-2,6-dimethylimidazo(1,2-a)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one (CID 71295596) is 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one is O=c1[nH]cc(Br)cc1-c1cn2ccccc2n1.
What is the InChIKey of 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one?
The InChIKey is NMNNRBHQHJCVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-8-5-9(12(17)14-6-8)10-7-16-4-2-1-3-11(16)15-10/h1-7H,(H,14,17).
What are the key properties of 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one?
5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one has a molecular weight of 290.12 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-imidazo[1,2-a]pyridin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 71295596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).