3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde

C12H17NO4 — CID 79156638

IUPAC3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde
SMILESCCOCC(O)COc1ccc(C)nc1C=O
InChIInChI=1S/C12H17NO4/c1-3-16-7-10(15)8-17-12-5-4-9(2)13-11(12)6-14/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyILWHYYVIIOYMTM-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.98
Rot. Bonds7

About 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde

3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde (PubChem CID 79156638) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde
PubChem CID79156638
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde
SMILESCCOCC(O)COc1ccc(C)nc1C=O
InChIInChI=1S/C12H17NO4/c1-3-16-7-10(15)8-17-12-5-4-9(2)13-11(12)6-14/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyILWHYYVIIOYMTM-UHFFFAOYSA-N
XLogP0.98
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde
CID 115871044
1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
CID 79158303
6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde
CID 107894824
5-[(2-formyl-6-methyl-3-pyridinyl)oxy]pentanenitrile
CID 79158850
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
(2S)-1-(2-bromo-4-methylphenoxy)-3-ethoxypropan-2-ol
CID 129402931
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 79035489
3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde
CID 107007333
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988783
ethyl 2-formyl-6-methylpyridine-3-carboxylate
CID 112757143
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde (CID 79156638) is 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde is CCOCC(O)COc1ccc(C)nc1C=O.
What is the InChIKey of 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde?
The InChIKey is ILWHYYVIIOYMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-16-7-10(15)8-17-12-5-4-9(2)13-11(12)6-14/h4-6,10,15H,3,7-8H2,1-2H3.
What are the key properties of 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde?
3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde has a molecular weight of 239.27 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 79156638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).