3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid

C15H19NO5 — CID 81439820

IUPAC3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H19NO5/c17-14(18)12-1-5-16-10-13(12)21-11-2-6-20-15(9-11)3-7-19-8-4-15/h1,5,10-11H,2-4,6-9H2,(H,17,18)
InChIKeyLYILAGBQXXYSSJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.89
Rot. Bonds3

About 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid

3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid (PubChem CID 81439820) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid
PubChem CID81439820
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H19NO5/c17-14(18)12-1-5-16-10-13(12)21-11-2-6-20-15(9-11)3-7-19-8-4-15/h1,5,10-11H,2-4,6-9H2,(H,17,18)
InChIKeyLYILAGBQXXYSSJ-UHFFFAOYSA-N
XLogP1.89
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-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

3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid
CID 81445391
3-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)pyridine-4-carboxylic acid
CID 81445379
4-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898959
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 79905392
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904501
5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 115297905
2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
4-amino-3-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79900845
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid
CID 107675399
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-fluorobenzoic acid
CID 107690082
3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 81445886

Frequently Asked Questions

What is the IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid (CID 81439820) is 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid is O=C(O)c1ccncc1OC1CCOC2(CCOCC2)C1.
What is the InChIKey of 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid?
The InChIKey is LYILAGBQXXYSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(18)12-1-5-16-10-13(12)21-11-2-6-20-15(9-11)3-7-19-8-4-15/h1,5,10-11H,2-4,6-9H2,(H,17,18).
What are the key properties of 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid?
3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 81439820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).