4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde

C11H15NO3 — CID 10081815

IUPAC4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde
SMILESCOCCCOc1ccnc(C=O)c1C
InChIInChI=1S/C11H15NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLRYHJXBLFJGLLR-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.62
Rot. Bonds6

About 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde

4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde (PubChem CID 10081815) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde
PubChem CID10081815
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde
SMILESCOCCCOc1ccnc(C=O)c1C
InChIInChI=1S/C11H15NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLRYHJXBLFJGLLR-UHFFFAOYSA-N
XLogP1.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.62
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

2-chloro-4-(3-methoxypropoxy)-3-methylpyridine
CID 141469218
4-methoxy-5-(3-methoxypropoxy)-2-methylbenzaldehyde
CID 59223904
2-(1H-imidazol-2-ylsulfinylmethyl)-4-(3-methoxypropoxy)-3-methylpyridine
CID 22394091
3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid
CID 19960346
3-butoxypyridine-2-carbaldehyde
CID 86631140
5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde
CID 169334187
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352
4-(3-chloropropoxy)-2,3-dimethylpyridine
CID 173285585
4-[[2-methyl-3-(4-methylphenyl)-4-pyridinyl]oxy]butanal
CID 148763964
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 5029
2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine
CID 22460786

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde?
The IUPAC name of 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde (CID 10081815) is 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde?
The canonical SMILES for 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde is COCCCOc1ccnc(C=O)c1C.
What is the InChIKey of 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde?
The InChIKey is LRYHJXBLFJGLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde?
4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 10081815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).