6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde

C15H19NO3 — CID 79905683

IUPAC6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde
SMILESCc1ccc(OC2CCOC3(CCC3)C2)c(C=O)n1
InChIInChI=1S/C15H19NO3/c1-11-3-4-14(13(10-17)16-11)19-12-5-8-18-15(9-12)6-2-7-15/h3-4,10,12H,2,5-9H2,1H3
InChIKeyAQMXEHKZBPBNOL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.68
Rot. Bonds3

About 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde

6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde (PubChem CID 79905683) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde
PubChem CID79905683
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde
SMILESCc1ccc(OC2CCOC3(CCC3)C2)c(C=O)n1
InChIInChI=1S/C15H19NO3/c1-11-3-4-14(13(10-17)16-11)19-12-5-8-18-15(9-12)6-2-7-15/h3-4,10,12H,2,5-9H2,1H3
InChIKeyAQMXEHKZBPBNOL-UHFFFAOYSA-N
XLogP2.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde
CID 79905824
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79906115
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-methylpyridin-2-amine
CID 79905053
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
3-nitro-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79901928
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771
(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
CID 79893699
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde
CID 114621429
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde (CID 79905683) is 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde is Cc1ccc(OC2CCOC3(CCC3)C2)c(C=O)n1.
What is the InChIKey of 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde?
The InChIKey is AQMXEHKZBPBNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-3-4-14(13(10-17)16-11)19-12-5-8-18-15(9-12)6-2-7-15/h3-4,10,12H,2,5-9H2,1H3.
What are the key properties of 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde?
6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde has a molecular weight of 261.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 79905683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).