7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one

C13H11N3O3 — CID 66600143

IUPAC7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one
SMILESCc1ccccc1-c1c(O)c2nonc2n(C)c1=O
InChIInChI=1S/C13H11N3O3/c1-7-5-3-4-6-8(7)9-11(17)10-12(15-19-14-10)16(2)13(9)18/h3-6,17H,1-2H3
InChIKeyHOSULTDUXBBROH-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.60
Rot. Bonds1

About 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one

7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one (PubChem CID 66600143) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one
PubChem CID66600143
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one
SMILESCc1ccccc1-c1c(O)c2nonc2n(C)c1=O
InChIInChI=1S/C13H11N3O3/c1-7-5-3-4-6-8(7)9-11(17)10-12(15-19-14-10)16(2)13(9)18/h3-6,17H,1-2H3
InChIKeyHOSULTDUXBBROH-UHFFFAOYSA-N
XLogP1.60
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one (CID 66600143) is 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one is Cc1ccccc1-c1c(O)c2nonc2n(C)c1=O.
What is the InChIKey of 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one?
The InChIKey is HOSULTDUXBBROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-7-5-3-4-6-8(7)9-11(17)10-12(15-19-14-10)16(2)13(9)18/h3-6,17H,1-2H3.
What are the key properties of 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one?
7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one has a molecular weight of 257.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 66600143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).