methoxyethane;3-methylpyridine-4-carbaldehyde

C10H15NO2 — CID 143796958

IUPACmethoxyethane;3-methylpyridine-4-carbaldehyde
SMILESCCOC.Cc1cnccc1C=O
InChIInChI=1S/C7H7NO.C3H8O/c1-6-4-8-3-2-7(6)5-9;1-3-4-2/h2-5H,1H3;3H2,1-2H3
InChIKeyAHXAGCKDBBNOSD-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.86
Rot. Bonds2

About methoxyethane;3-methylpyridine-4-carbaldehyde

methoxyethane;3-methylpyridine-4-carbaldehyde (PubChem CID 143796958) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methoxyethane;3-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Namemethoxyethane;3-methylpyridine-4-carbaldehyde
PubChem CID143796958
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethoxyethane;3-methylpyridine-4-carbaldehyde
SMILESCCOC.Cc1cnccc1C=O
InChIInChI=1S/C7H7NO.C3H8O/c1-6-4-8-3-2-7(6)5-9;1-3-4-2/h2-5H,1H3;3H2,1-2H3
InChIKeyAHXAGCKDBBNOSD-UHFFFAOYSA-N
XLogP1.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethoxy)pyridine-4-carbaldehyde
CID 45091058
3-trimethylstannylpyridine-4-carbaldehyde
CID 10378405
methoxyethane;3-methylpyridine
CID 144662760
methyl formate;3-methylpyridin-4-amine
CID 160726119
ethane;4-ethoxy-3-methylpyridine
CID 177233068
(Z)-1-(3-methyl-4-pyridinyl)-N-prop-2-enoxymethanimine
CID 6447242
3-fluoropyridine-4-carbaldehyde;hydrofluoride
CID 74891092
3-[(4-propan-2-ylphenyl)methyl]pyridine-4-carbaldehyde
CID 96592105
2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde
CID 96603971
5-methoxyisoquinoline-6-carbaldehyde
CID 84660978
3-(3-methyl-4-pyridinyl)prop-2-enenitrile
CID 169483055

Frequently Asked Questions

What is the IUPAC name of methoxyethane;3-methylpyridine-4-carbaldehyde?
The IUPAC name of methoxyethane;3-methylpyridine-4-carbaldehyde (CID 143796958) is methoxyethane;3-methylpyridine-4-carbaldehyde.
What is the SMILES notation for methoxyethane;3-methylpyridine-4-carbaldehyde?
The canonical SMILES for methoxyethane;3-methylpyridine-4-carbaldehyde is CCOC.Cc1cnccc1C=O.
What is the InChIKey of methoxyethane;3-methylpyridine-4-carbaldehyde?
The InChIKey is AHXAGCKDBBNOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C3H8O/c1-6-4-8-3-2-7(6)5-9;1-3-4-2/h2-5H,1H3;3H2,1-2H3.
What are the key properties of methoxyethane;3-methylpyridine-4-carbaldehyde?
methoxyethane;3-methylpyridine-4-carbaldehyde has a molecular weight of 181.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;3-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 143796958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).