5-chloro-2-ethoxypyridine-3-carbaldehyde

C8H8ClNO2 — CID 86084027

IUPAC5-chloro-2-ethoxypyridine-3-carbaldehyde
SMILESCCOc1ncc(Cl)cc1C=O
InChIInChI=1S/C8H8ClNO2/c1-2-12-8-6(5-11)3-7(9)4-10-8/h3-5H,2H2,1H3
InChIKeyQDNGGXRHVRFDLE-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.95
Rot. Bonds3

About 5-chloro-2-ethoxypyridine-3-carbaldehyde

5-chloro-2-ethoxypyridine-3-carbaldehyde (PubChem CID 86084027) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 5-chloro-2-ethoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-ethoxypyridine-3-carbaldehyde
PubChem CID86084027
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name5-chloro-2-ethoxypyridine-3-carbaldehyde
SMILESCCOc1ncc(Cl)cc1C=O
InChIInChI=1S/C8H8ClNO2/c1-2-12-8-6(5-11)3-7(9)4-10-8/h3-5H,2H2,1H3
InChIKeyQDNGGXRHVRFDLE-UHFFFAOYSA-N
XLogP1.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-chloro-2-ethoxypyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxypyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-2-ethoxypyridine-3-carbaldehyde (CID 86084027) is 5-chloro-2-ethoxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-ethoxypyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-ethoxypyridine-3-carbaldehyde is CCOc1ncc(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-ethoxypyridine-3-carbaldehyde?
The InChIKey is QDNGGXRHVRFDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-2-12-8-6(5-11)3-7(9)4-10-8/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-2-ethoxypyridine-3-carbaldehyde?
5-chloro-2-ethoxypyridine-3-carbaldehyde has a molecular weight of 185.61 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxypyridine-3-carbaldehyde is sourced from PubChem (CID 86084027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).