6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde

C10H13NO3 — CID 80631733

IUPAC6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde
SMILESCOCCOc1ncc(C=O)cc1C
InChIInChI=1S/C10H13NO3/c1-8-5-9(7-12)6-11-10(8)14-4-3-13-2/h5-7H,3-4H2,1-2H3
InChIKeyVJORAYDCCOBFBC-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.23
Rot. Bonds5

About 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde

6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde (PubChem CID 80631733) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde
PubChem CID80631733
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde
SMILESCOCCOc1ncc(C=O)cc1C
InChIInChI=1S/C10H13NO3/c1-8-5-9(7-12)6-11-10(8)14-4-3-13-2/h5-7H,3-4H2,1-2H3
InChIKeyVJORAYDCCOBFBC-UHFFFAOYSA-N
XLogP1.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.23
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

5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
CID 80631732
5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde
CID 141397740
5-methyl-6-(4,4,4-trifluorobutoxy)pyridine-3-carbaldehyde
CID 82788792
5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde
CID 80631853
5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
CID 55297707
methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate
CID 58835150
5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
CID 80631745
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
6-bromo-5-methylpyridine-3-carbaldehyde
CID 44754884
6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631978
2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate
CID 86229096

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde (CID 80631733) is 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde is COCCOc1ncc(C=O)cc1C.
What is the InChIKey of 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde?
The InChIKey is VJORAYDCCOBFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8-5-9(7-12)6-11-10(8)14-4-3-13-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde?
6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde has a molecular weight of 195.22 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80631733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).