3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde

C11H15NO3 — CID 115871044

IUPAC3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCC(C)CO)c(C=O)n1
InChIInChI=1S/C11H15NO3/c1-8(5-13)7-15-11-4-3-9(2)12-10(11)6-14/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyYEGUAPATGBQSGS-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.21
Rot. Bonds5

About 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde

3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde (PubChem CID 115871044) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde
PubChem CID115871044
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCC(C)CO)c(C=O)n1
InChIInChI=1S/C11H15NO3/c1-8(5-13)7-15-11-4-3-9(2)12-10(11)6-14/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyYEGUAPATGBQSGS-UHFFFAOYSA-N
XLogP1.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde
CID 79156638
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
3-bromo-4-(3-hydroxy-2-methylpropoxy)benzaldehyde
CID 115870724
3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde
CID 107007333
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 103173022
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 79035489
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 79158515
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde (CID 115871044) is 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde is Cc1ccc(OCC(C)CO)c(C=O)n1.
What is the InChIKey of 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde?
The InChIKey is YEGUAPATGBQSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(5-13)7-15-11-4-3-9(2)12-10(11)6-14/h3-4,6,8,13H,5,7H2,1-2H3.
What are the key properties of 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde?
3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 115871044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).