6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde

C15H21NO3 — CID 114621429

IUPAC6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde
SMILESCc1ccc(OC2CC(C)(C)OC2(C)C)c(C=O)n1
InChIInChI=1S/C15H21NO3/c1-10-6-7-12(11(9-17)16-10)18-13-8-14(2,3)19-15(13,4)5/h6-7,9,13H,8H2,1-5H3
InChIKeyCKHCTNFMEYVISF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.93
Rot. Bonds3

About 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde

6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde (PubChem CID 114621429) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde
PubChem CID114621429
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde
SMILESCc1ccc(OC2CC(C)(C)OC2(C)C)c(C=O)n1
InChIInChI=1S/C15H21NO3/c1-10-6-7-12(11(9-17)16-10)18-13-8-14(2,3)19-15(13,4)5/h6-7,9,13H,8H2,1-5H3
InChIKeyCKHCTNFMEYVISF-UHFFFAOYSA-N
XLogP2.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde (CID 114621429) is 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde is Cc1ccc(OC2CC(C)(C)OC2(C)C)c(C=O)n1.
What is the InChIKey of 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde?
The InChIKey is CKHCTNFMEYVISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-7-12(11(9-17)16-10)18-13-8-14(2,3)19-15(13,4)5/h6-7,9,13H,8H2,1-5H3.
What are the key properties of 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde?
6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxypyridine-2-carbaldehyde is sourced from PubChem (CID 114621429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).