3-(methoxymethoxy)pyridine-4-carbaldehyde

C8H9NO3 — CID 45091058

IUPAC3-(methoxymethoxy)pyridine-4-carbaldehyde
SMILESCOCOc1cnccc1C=O
InChIInChI=1S/C8H9NO3/c1-11-6-12-8-4-9-3-2-7(8)5-10/h2-5H,6H2,1H3
InChIKeyVDGILGBFPIUZAI-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.88
Rot. Bonds4

About 3-(methoxymethoxy)pyridine-4-carbaldehyde

3-(methoxymethoxy)pyridine-4-carbaldehyde (PubChem CID 45091058) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3-(methoxymethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(methoxymethoxy)pyridine-4-carbaldehyde
PubChem CID45091058
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name3-(methoxymethoxy)pyridine-4-carbaldehyde
SMILESCOCOc1cnccc1C=O
InChIInChI=1S/C8H9NO3/c1-11-6-12-8-4-9-3-2-7(8)5-10/h2-5H,6H2,1H3
InChIKeyVDGILGBFPIUZAI-UHFFFAOYSA-N
XLogP0.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 3-(methoxymethoxy)pyridine-4-carbaldehyde (CID 45091058) is 3-(methoxymethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(methoxymethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(methoxymethoxy)pyridine-4-carbaldehyde is COCOc1cnccc1C=O.
What is the InChIKey of 3-(methoxymethoxy)pyridine-4-carbaldehyde?
The InChIKey is VDGILGBFPIUZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-11-6-12-8-4-9-3-2-7(8)5-10/h2-5H,6H2,1H3.
What are the key properties of 3-(methoxymethoxy)pyridine-4-carbaldehyde?
3-(methoxymethoxy)pyridine-4-carbaldehyde has a molecular weight of 167.16 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 45091058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).