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

C9H11NO2 — CID 11194530

IUPAC6-methoxy-2,4-dimethylpyridine-3-carbaldehyde
SMILESCOc1cc(C)c(C=O)c(C)n1
InChIInChI=1S/C9H11NO2/c1-6-4-9(12-3)10-7(2)8(6)5-11/h4-5H,1-3H3
InChIKeyKIUBLPCMTJOZOA-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.52
Rot. Bonds2

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

6-methoxy-2,4-dimethylpyridine-3-carbaldehyde (PubChem CID 11194530) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 6-methoxy-2,4-dimethylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-2,4-dimethylpyridine-3-carbaldehyde
PubChem CID11194530
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name6-methoxy-2,4-dimethylpyridine-3-carbaldehyde
SMILESCOc1cc(C)c(C=O)c(C)n1
InChIInChI=1S/C9H11NO2/c1-6-4-9(12-3)10-7(2)8(6)5-11/h4-5H,1-3H3
InChIKeyKIUBLPCMTJOZOA-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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4-dimethylpyridine-3-carbaldehyde?
The IUPAC name of 6-methoxy-2,4-dimethylpyridine-3-carbaldehyde (CID 11194530) is 6-methoxy-2,4-dimethylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-2,4-dimethylpyridine-3-carbaldehyde?
The canonical SMILES for 6-methoxy-2,4-dimethylpyridine-3-carbaldehyde is COc1cc(C)c(C=O)c(C)n1.
What is the InChIKey of 6-methoxy-2,4-dimethylpyridine-3-carbaldehyde?
The InChIKey is KIUBLPCMTJOZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-9(12-3)10-7(2)8(6)5-11/h4-5H,1-3H3.
What are the key properties of 6-methoxy-2,4-dimethylpyridine-3-carbaldehyde?
6-methoxy-2,4-dimethylpyridine-3-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 6-methoxy-2,4-dimethylpyridine-3-carbaldehyde is sourced from PubChem (CID 11194530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).