5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde

C15H15NO3 — CID 80631732

IUPAC5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1OCCOc1ccccc1
InChIInChI=1S/C15H15NO3/c1-12-9-13(11-17)10-16-15(12)19-8-7-18-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3
InChIKeyXILHVHXWFUUBIZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.66
Rot. Bonds6

About 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde

5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde (PubChem CID 80631732) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
PubChem CID80631732
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1OCCOc1ccccc1
InChIInChI=1S/C15H15NO3/c1-12-9-13(11-17)10-16-15(12)19-8-7-18-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3
InChIKeyXILHVHXWFUUBIZ-UHFFFAOYSA-N
XLogP2.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde
CID 80631733
3-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 54794840
5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
CID 80631745
5-methyl-6-(4,4,4-trifluorobutoxy)pyridine-3-carbaldehyde
CID 82788792
5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde
CID 80631853
2-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 79118702
5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
CID 55297707
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
CID 105368231
6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 107709147
3-[2-(2-methylphenoxy)ethoxy]benzaldehyde
CID 2295834

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde (CID 80631732) is 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1OCCOc1ccccc1.
What is the InChIKey of 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde?
The InChIKey is XILHVHXWFUUBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-12-9-13(11-17)10-16-15(12)19-8-7-18-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde?
5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 80631732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).