5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde

C13H17NO3 — CID 154937589

IUPAC5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde
SMILESCc1cnc(C=O)c(COC2CCCCO2)c1
InChIInChI=1S/C13H17NO3/c1-10-6-11(12(8-15)14-7-10)9-17-13-4-2-3-5-16-13/h6-8,13H,2-5,9H2,1H3
InChIKeyCOOKVJDOLIVKRS-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.25
Rot. Bonds4

About 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde

5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde (PubChem CID 154937589) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde
PubChem CID154937589
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde
SMILESCc1cnc(C=O)c(COC2CCCCO2)c1
InChIInChI=1S/C13H17NO3/c1-10-6-11(12(8-15)14-7-10)9-17-13-4-2-3-5-16-13/h6-8,13H,2-5,9H2,1H3
InChIKeyCOOKVJDOLIVKRS-UHFFFAOYSA-N
XLogP2.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.25
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

4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102529916
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
1-tert-butyl-3-[[5-chloro-3-(oxan-2-yloxymethyl)-2-pyridinyl]methylidene]pyrrolo[2,3-b]pyridin-2-one
CID 78165025
2-[[2-bromo-4-(2-methylbut-2-enoxy)phenyl]methoxy]oxane
CID 90709057
tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane
CID 170986126
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline
CID 22054525
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde (CID 154937589) is 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde is Cc1cnc(C=O)c(COC2CCCCO2)c1.
What is the InChIKey of 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde?
The InChIKey is COOKVJDOLIVKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-6-11(12(8-15)14-7-10)9-17-13-4-2-3-5-16-13/h6-8,13H,2-5,9H2,1H3.
What are the key properties of 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde?
5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde has a molecular weight of 235.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 154937589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).