6-Cyclopropylmethoxy-5-(3-hydroxy-oxetan-3-yl)-pyridine-2-carboxylic acid

HCID 71087650

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1ccc(C2(O)COC2)c(OCC2CC2)n1
InChIKey: HECZDDRGUARRRM-UHFFFAOYSA-N
Molecular formula: C13H15NO5
Average molar mass: 265.26 g/mol

Names & identifiers

Preferred name: 6-Cyclopropylmethoxy-5-(3-hydroxy-oxetan-3-yl)-pyridine-2-carboxylic acid
IUPAC: 6-(cyclopropylmethoxy)-5-(3-hydroxyoxetan-3-yl)pyridine-2-carboxylic acid

Names & synonyms

SCHEMBL14152297HECZDDRGUARRRM-UHFFFAOYSA-N6-(cyclopropylmethoxy)-5-(3-hydroxyoxetan-3-yl)pyridine-2-carboxylic acid6-Cyclopropylmethoxy-5-(3-hydroxy-oxetan-3-yl)-pyridine-2-carboxylic acid

Database identifiers

PubChem CID: 71087650

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 353

Related reactions

6 records

New reaction record

HRID 311886As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 632195As productuspto-grants-2016_04

HRID 632196As reactantuspto-grants-2016_04

HRID 927581As productuspto-grants-2016_03

HRID 927582As reactantuspto-grants-2016_03

HRID 2162733As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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