3-methoxy-2,6-dimethylpyridine-4-carbaldehyde

C9H11NO2 — CID 84652102

IUPAC3-methoxy-2,6-dimethylpyridine-4-carbaldehyde
SMILESCOc1c(C=O)cc(C)nc1C
InChIInChI=1S/C9H11NO2/c1-6-4-8(5-11)9(12-3)7(2)10-6/h4-5H,1-3H3
InChIKeyPIDDEJZOCMOFQY-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.52
Rot. Bonds2

About 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde

3-methoxy-2,6-dimethylpyridine-4-carbaldehyde (PubChem CID 84652102) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-2,6-dimethylpyridine-4-carbaldehyde
PubChem CID84652102
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-methoxy-2,6-dimethylpyridine-4-carbaldehyde
SMILESCOc1c(C=O)cc(C)nc1C
InChIInChI=1S/C9H11NO2/c1-6-4-8(5-11)9(12-3)7(2)10-6/h4-5H,1-3H3
InChIKeyPIDDEJZOCMOFQY-UHFFFAOYSA-N
XLogP1.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.52
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

5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde
CID 84681062
ethane;4-ethyl-3-methoxy-2,6-dimethylpyridine
CID 144795735
2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde
CID 84670071
2,7,8-trimethylquinoline-4-carbaldehyde
CID 82448404
5,8-dimethoxy-2-methylquinoline-3-carbaldehyde
CID 15672393
7,8-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449304
3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde
CID 126673304
3,5-dibromo-2,4-dimethoxybenzaldehyde
CID 42626303
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 119019185

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde?
The IUPAC name of 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde (CID 84652102) is 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde?
The canonical SMILES for 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde is COc1c(C=O)cc(C)nc1C.
What is the InChIKey of 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde?
The InChIKey is PIDDEJZOCMOFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-8(5-11)9(12-3)7(2)10-6/h4-5H,1-3H3.
What are the key properties of 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde?
3-methoxy-2,6-dimethylpyridine-4-carbaldehyde has a molecular weight of 165.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,6-dimethylpyridine-4-carbaldehyde is sourced from PubChem (CID 84652102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).