6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid

C12H15NO4 — CID 53256658

IUPAC6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCC2CCCCO2)n1
InChIInChI=1S/C12H15NO4/c14-12(15)10-5-3-6-11(13-10)17-8-9-4-1-2-7-16-9/h3,5-6,9H,1-2,4,7-8H2,(H,14,15)
InChIKeyUIZMPUQMXOCNIR-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.73
Rot. Bonds4

About 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid

6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid (PubChem CID 53256658) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid
PubChem CID53256658
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCC2CCCCO2)n1
InChIInChI=1S/C12H15NO4/c14-12(15)10-5-3-6-11(13-10)17-8-9-4-1-2-7-16-9/h3,5-6,9H,1-2,4,7-8H2,(H,14,15)
InChIKeyUIZMPUQMXOCNIR-UHFFFAOYSA-N
XLogP1.73
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridine-2-carboxylic acid
CID 58477293
6-(oxan-2-ylmethoxy)-N-propylpyridin-2-amine
CID 80859693
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420
2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172644114
6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
CID 79827597
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
2-methylsulfanyl-6-(oxan-2-ylmethoxy)benzoic acid
CID 113386241
oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498619
6-cyclopropyloxypyridine-2-carboxylic acid
CID 146463026
[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine
CID 55058525
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid (CID 53256658) is 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1cccc(OCC2CCCCO2)n1.
What is the InChIKey of 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is UIZMPUQMXOCNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-12(15)10-5-3-6-11(13-10)17-8-9-4-1-2-7-16-9/h3,5-6,9H,1-2,4,7-8H2,(H,14,15).
What are the key properties of 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid?
6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 53256658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).