6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

C13H11N3O2 — CID 56950727

IUPAC6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(O)c3)cc21
InChIInChI=1S/C13H11N3O2/c1-16-11-6-9(7-14-12(11)15-13(16)18)8-3-2-4-10(17)5-8/h2-7,17H,1H3,(H,14,15,18)
InChIKeyRUEDYGQKRYZXAT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.63
Rot. Bonds1

About 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 56950727) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID56950727
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(O)c3)cc21
InChIInChI=1S/C13H11N3O2/c1-16-11-6-9(7-14-12(11)15-13(16)18)8-3-2-4-10(17)5-8/h2-7,17H,1H3,(H,14,15,18)
InChIKeyRUEDYGQKRYZXAT-UHFFFAOYSA-N
XLogP1.63
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (CID 56950727) is 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is Cn1c(=O)[nH]c2ncc(-c3cccc(O)c3)cc21.
What is the InChIKey of 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is RUEDYGQKRYZXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-16-11-6-9(7-14-12(11)15-13(16)18)8-3-2-4-10(17)5-8/h2-7,17H,1H3,(H,14,15,18).
What are the key properties of 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 56950727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).