5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid

C8H6N4O3 — CID 104743093

IUPAC5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNc1cccnc1-c1nc(C(=O)O)no1
InChIInChI=1S/C8H6N4O3/c9-4-2-1-3-10-5(4)7-11-6(8(13)14)12-15-7/h1-3H,9H2,(H,13,14)
InChIKeyIDEUSFVDUDBCLF-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.41
Rot. Bonds2

About 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid

5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 104743093) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID104743093
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNc1cccnc1-c1nc(C(=O)O)no1
InChIInChI=1S/C8H6N4O3/c9-4-2-1-3-10-5(4)7-11-6(8(13)14)12-15-7/h1-3H,9H2,(H,13,14)
InChIKeyIDEUSFVDUDBCLF-UHFFFAOYSA-N
XLogP0.41
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 104743093) is 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid is Nc1cccnc1-c1nc(C(=O)O)no1.
What is the InChIKey of 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is IDEUSFVDUDBCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-4-2-1-3-10-5(4)7-11-6(8(13)14)12-15-7/h1-3H,9H2,(H,13,14).
What are the key properties of 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 104743093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).