oxadiazolo[5,4-b]pyridine-5-carboxylic acid

C6H3N3O3 — CID 67350430

IUPACoxadiazolo[5,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2nnoc2n1
InChIInChI=1S/C6H3N3O3/c10-6(11)4-2-1-3-5(7-4)12-9-8-3/h1-2H,(H,10,11)
InChIKeyGMHRDDPYXMUBRG-UHFFFAOYSA-N
MW165.11 g/mol
LogP0.32
Rot. Bonds1

About oxadiazolo[5,4-b]pyridine-5-carboxylic acid

oxadiazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 67350430) has the molecular formula C6H3N3O3 and a molecular weight of 165.11 g/mol. Its IUPAC name is oxadiazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Nameoxadiazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID67350430
Molecular FormulaC6H3N3O3
Molecular Weight165.11 g/mol
Exact Mass165.02
IUPAC Nameoxadiazolo[5,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2nnoc2n1
InChIInChI=1S/C6H3N3O3/c10-6(11)4-2-1-3-5(7-4)12-9-8-3/h1-2H,(H,10,11)
InChIKeyGMHRDDPYXMUBRG-UHFFFAOYSA-N
XLogP0.32
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxadiazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of oxadiazolo[5,4-b]pyridine-5-carboxylic acid (CID 67350430) is oxadiazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for oxadiazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for oxadiazolo[5,4-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2nnoc2n1.
What is the InChIKey of oxadiazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is GMHRDDPYXMUBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O3/c10-6(11)4-2-1-3-5(7-4)12-9-8-3/h1-2H,(H,10,11).
What are the key properties of oxadiazolo[5,4-b]pyridine-5-carboxylic acid?
oxadiazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 165.11 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 67350430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).