5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid

C13H15NO4 — CID 125491947

IUPAC5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(O[C@H]2CCOC2)c(C2CC2)c1
InChIInChI=1S/C13H15NO4/c15-13(16)9-5-11(8-1-2-8)12(14-6-9)18-10-3-4-17-7-10/h5-6,8,10H,1-4,7H2,(H,15,16)/t10-/m0/s1
InChIKeyKLXIDORRTSGEOE-JTQLQIEISA-N
MW249.27 g/mol
LogP1.82
Rot. Bonds4

About 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid

5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid (PubChem CID 125491947) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
PubChem CID125491947
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(O[C@H]2CCOC2)c(C2CC2)c1
InChIInChI=1S/C13H15NO4/c15-13(16)9-5-11(8-1-2-8)12(14-6-9)18-10-3-4-17-7-10/h5-6,8,10H,1-4,7H2,(H,15,16)/t10-/m0/s1
InChIKeyKLXIDORRTSGEOE-JTQLQIEISA-N
XLogP1.82
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid (CID 125491947) is 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid is O=C(O)c1cnc(O[C@H]2CCOC2)c(C2CC2)c1.
What is the InChIKey of 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid?
The InChIKey is KLXIDORRTSGEOE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO4/c15-13(16)9-5-11(8-1-2-8)12(14-6-9)18-10-3-4-17-7-10/h5-6,8,10H,1-4,7H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid?
5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid is sourced from PubChem (CID 125491947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).