6-ethoxypyridine-3-carbaldehyde

C8H9NO2 — CID 15067098

IUPAC6-ethoxypyridine-3-carbaldehyde
SMILESCCOc1ccc(C=O)cn1
InChIInChI=1S/C8H9NO2/c1-2-11-8-4-3-7(6-10)5-9-8/h3-6H,2H2,1H3
InChIKeyROARRKDOMGZNFY-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.29
Rot. Bonds3

About 6-ethoxypyridine-3-carbaldehyde

6-ethoxypyridine-3-carbaldehyde (PubChem CID 15067098) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 6-ethoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-ethoxypyridine-3-carbaldehyde
PubChem CID15067098
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name6-ethoxypyridine-3-carbaldehyde
SMILESCCOc1ccc(C=O)cn1
InChIInChI=1S/C8H9NO2/c1-2-11-8-4-3-7(6-10)5-9-8/h3-6H,2H2,1H3
InChIKeyROARRKDOMGZNFY-UHFFFAOYSA-N
XLogP1.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.29
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-ethoxypyridine-3-carbaldehyde?
The IUPAC name of 6-ethoxypyridine-3-carbaldehyde (CID 15067098) is 6-ethoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-ethoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-ethoxypyridine-3-carbaldehyde is CCOc1ccc(C=O)cn1.
What is the InChIKey of 6-ethoxypyridine-3-carbaldehyde?
The InChIKey is ROARRKDOMGZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-11-8-4-3-7(6-10)5-9-8/h3-6H,2H2,1H3.
What are the key properties of 6-ethoxypyridine-3-carbaldehyde?
6-ethoxypyridine-3-carbaldehyde has a molecular weight of 151.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxypyridine-3-carbaldehyde is sourced from PubChem (CID 15067098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).