3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid

C14H17NO4 — CID 81445391

IUPAC3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)11-2-6-15-9-12(11)19-10-3-7-18-14(8-10)4-1-5-14/h2,6,9-10H,1,3-5,7-8H2,(H,16,17)
InChIKeyWZSUCILWZVRXFC-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.26
Rot. Bonds3

About 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid

3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid (PubChem CID 81445391) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid
PubChem CID81445391
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)11-2-6-15-9-12(11)19-10-3-7-18-14(8-10)4-1-5-14/h2,6,9-10H,1,3-5,7-8H2,(H,16,17)
InChIKeyWZSUCILWZVRXFC-UHFFFAOYSA-N
XLogP2.26
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid (CID 81445391) is 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid is O=C(O)c1ccncc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid?
The InChIKey is WZSUCILWZVRXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(17)11-2-6-15-9-12(11)19-10-3-7-18-14(8-10)4-1-5-14/h2,6,9-10H,1,3-5,7-8H2,(H,16,17).
What are the key properties of 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid?
3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 81445391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).