6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde

C8H11NO2 — CID 131734644

IUPAC6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde
SMILESCOC1=CC=CC(C=O)N1C
InChIInChI=1S/C8H11NO2/c1-9-7(6-10)4-3-5-8(9)11-2/h3-7H,1-2H3
InChIKeyMCMVDXFVZJLNGM-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.54
Rot. Bonds2

About 6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde

6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde (PubChem CID 131734644) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde
PubChem CID131734644
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde
SMILESCOC1=CC=CC(C=O)N1C
InChIInChI=1S/C8H11NO2/c1-9-7(6-10)4-3-5-8(9)11-2/h3-7H,1-2H3
InChIKeyMCMVDXFVZJLNGM-UHFFFAOYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.54
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-1-methyl-2H-pyridine-2-carbaldehyde?
The IUPAC name of 6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde (CID 131734644) is 6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde is COC1=CC=CC(C=O)N1C.
What is the InChIKey of 6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde?
The InChIKey is MCMVDXFVZJLNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-7(6-10)4-3-5-8(9)11-2/h3-7H,1-2H3.
What are the key properties of 6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde?
6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde has a molecular weight of 153.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-2H-pyridine-2-carbaldehyde is sourced from PubChem (CID 131734644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).