5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one

C11H7BrN4O2 — CID 66312695

IUPAC5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cn3ccccc3n2)nc(O)c1Br
InChIInChI=1S/C11H7BrN4O2/c12-8-10(17)14-9(15-11(8)18)6-5-16-4-2-1-3-7(16)13-6/h1-5H,(H2,14,15,17,18)
InChIKeyMQMZBQWZVRWLMG-UHFFFAOYSA-N
MW307.11 g/mol
LogP1.55
Rot. Bonds1

About 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 66312695) has the molecular formula C11H7BrN4O2 and a molecular weight of 307.11 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID66312695
Molecular FormulaC11H7BrN4O2
Molecular Weight307.11 g/mol
Exact Mass305.98
IUPAC Name5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cn3ccccc3n2)nc(O)c1Br
InChIInChI=1S/C11H7BrN4O2/c12-8-10(17)14-9(15-11(8)18)6-5-16-4-2-1-3-7(16)13-6/h1-5H,(H2,14,15,17,18)
InChIKeyMQMZBQWZVRWLMG-UHFFFAOYSA-N
XLogP1.55
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one (CID 66312695) is 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2cn3ccccc3n2)nc(O)c1Br.
What is the InChIKey of 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is MQMZBQWZVRWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O2/c12-8-10(17)14-9(15-11(8)18)6-5-16-4-2-1-3-7(16)13-6/h1-5H,(H2,14,15,17,18).
What are the key properties of 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 307.11 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66312695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).