6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid

C12H15NO4 — CID 55066392

IUPAC6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCC2CCOCC2)n1
InChIInChI=1S/C12H15NO4/c14-12(15)10-2-1-3-11(13-10)17-8-9-4-6-16-7-5-9/h1-3,9H,4-8H2,(H,14,15)
InChIKeyXVUDGCRXQZKFRD-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.59
Rot. Bonds4

About 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid

6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid (PubChem CID 55066392) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
PubChem CID55066392
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCC2CCOCC2)n1
InChIInChI=1S/C12H15NO4/c14-12(15)10-2-1-3-11(13-10)17-8-9-4-6-16-7-5-9/h1-3,9H,4-8H2,(H,14,15)
InChIKeyXVUDGCRXQZKFRD-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(piperidin-4-ylmethoxy)pyridine-2-carboxylic acid
CID 51063759
6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid
CID 53256658
6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 80651934
oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 126874696
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridine-2-carboxylic acid
CID 58477293
6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
CID 106903338
6-cyclopropyloxypyridine-2-carboxylic acid
CID 146463026
2-chloro-6-(oxolan-3-ylmethoxy)pyridine
CID 63586868
3-fluoro-2-(oxan-4-ylmethoxy)benzoic acid
CID 62650307
6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid
CID 122055732
6-(2-aminopropoxy)pyridine-2-carboxylic acid
CID 154848823
6-(2-phenylethoxy)pyridine-2-carboxylic acid
CID 115001122

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid (CID 55066392) is 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1cccc(OCC2CCOCC2)n1.
What is the InChIKey of 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is XVUDGCRXQZKFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-12(15)10-2-1-3-11(13-10)17-8-9-4-6-16-7-5-9/h1-3,9H,4-8H2,(H,14,15).
What are the key properties of 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid?
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 55066392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).