3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid

C12H11N3O4 — CID 61380152

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C12H11N3O4/c16-12(17)10-8(2-1-5-13-10)18-6-9-14-11(15-19-9)7-3-4-7/h1-2,5,7H,3-4,6H2,(H,16,17)
InChIKeyXXYUVOWTQQKZTO-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.62
Rot. Bonds5

About 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid (PubChem CID 61380152) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
PubChem CID61380152
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C12H11N3O4/c16-12(17)10-8(2-1-5-13-10)18-6-9-14-11(15-19-9)7-3-4-7/h1-2,5,7H,3-4,6H2,(H,16,17)
InChIKeyXXYUVOWTQQKZTO-UHFFFAOYSA-N
XLogP1.62
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid (CID 61380152) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1nc(C2CC2)no1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is XXYUVOWTQQKZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-12(17)10-8(2-1-5-13-10)18-6-9-14-11(15-19-9)7-3-4-7/h1-2,5,7H,3-4,6H2,(H,16,17).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).