5-(oxan-4-yloxy)pyridine-2-carboxylic acid

C11H13NO4 — CID 66570796

IUPAC5-(oxan-4-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C11H13NO4/c13-11(14)10-2-1-9(7-12-10)16-8-3-5-15-6-4-8/h1-2,7-8H,3-6H2,(H,13,14)
InChIKeyVEVBKOCTESXAOK-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.34
Rot. Bonds3

About 5-(oxan-4-yloxy)pyridine-2-carboxylic acid

5-(oxan-4-yloxy)pyridine-2-carboxylic acid (PubChem CID 66570796) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(oxan-4-yloxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxan-4-yloxy)pyridine-2-carboxylic acid
PubChem CID66570796
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-(oxan-4-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C11H13NO4/c13-11(14)10-2-1-9(7-12-10)16-8-3-5-15-6-4-8/h1-2,7-8H,3-6H2,(H,13,14)
InChIKeyVEVBKOCTESXAOK-UHFFFAOYSA-N
XLogP1.34
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cycloheptyloxypyridine-2-carboxylic acid
CID 115491140
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
CID 112583867
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
CID 83119185
N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
CID 136990868
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol
CID 170549224
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926
4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
CID 63556832
1-[5-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanone
CID 114341234
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
3-(oxan-4-yloxy)benzoic acid
CID 23149060
4-phenoxyoxane
CID 58483739

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yloxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(oxan-4-yloxy)pyridine-2-carboxylic acid (CID 66570796) is 5-(oxan-4-yloxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(oxan-4-yloxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(oxan-4-yloxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(OC2CCOCC2)cn1.
What is the InChIKey of 5-(oxan-4-yloxy)pyridine-2-carboxylic acid?
The InChIKey is VEVBKOCTESXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-11(14)10-2-1-9(7-12-10)16-8-3-5-15-6-4-8/h1-2,7-8H,3-6H2,(H,13,14).
What are the key properties of 5-(oxan-4-yloxy)pyridine-2-carboxylic acid?
5-(oxan-4-yloxy)pyridine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yloxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 66570796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).