6-methoxy-2-methylpyridine-3-carbaldehyde

C8H9NO2 — CID 11819218

IUPAC6-methoxy-2-methylpyridine-3-carbaldehyde
SMILESCOc1ccc(C=O)c(C)n1
InChIInChI=1S/C8H9NO2/c1-6-7(5-10)3-4-8(9-6)11-2/h3-5H,1-2H3
InChIKeyHYKSLKBORRBHEN-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.21
Rot. Bonds2

About 6-methoxy-2-methylpyridine-3-carbaldehyde

6-methoxy-2-methylpyridine-3-carbaldehyde (PubChem CID 11819218) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 6-methoxy-2-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-2-methylpyridine-3-carbaldehyde
PubChem CID11819218
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name6-methoxy-2-methylpyridine-3-carbaldehyde
SMILESCOc1ccc(C=O)c(C)n1
InChIInChI=1S/C8H9NO2/c1-6-7(5-10)3-4-8(9-6)11-2/h3-5H,1-2H3
InChIKeyHYKSLKBORRBHEN-UHFFFAOYSA-N
XLogP1.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.21
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-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-methoxy-2-methylpyridine-3-carbaldehyde (CID 11819218) is 6-methoxy-2-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-2-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-methoxy-2-methylpyridine-3-carbaldehyde is COc1ccc(C=O)c(C)n1.
What is the InChIKey of 6-methoxy-2-methylpyridine-3-carbaldehyde?
The InChIKey is HYKSLKBORRBHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-7(5-10)3-4-8(9-6)11-2/h3-5H,1-2H3.
What are the key properties of 6-methoxy-2-methylpyridine-3-carbaldehyde?
6-methoxy-2-methylpyridine-3-carbaldehyde has a molecular weight of 151.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 11819218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).