5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde

C9H8ClNO3 — CID 119054234

IUPAC5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)cnc1OC1COC1
InChIInChI=1S/C9H8ClNO3/c10-7-1-6(3-12)9(11-2-7)14-8-4-13-5-8/h1-3,8H,4-5H2
InChIKeyDFXNSNZZHLCBJM-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.33
Rot. Bonds3

About 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde

5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde (PubChem CID 119054234) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde
PubChem CID119054234
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)cnc1OC1COC1
InChIInChI=1S/C9H8ClNO3/c10-7-1-6(3-12)9(11-2-7)14-8-4-13-5-8/h1-3,8H,4-5H2
InChIKeyDFXNSNZZHLCBJM-UHFFFAOYSA-N
XLogP1.33
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde (CID 119054234) is 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde is O=Cc1cc(Cl)cnc1OC1COC1.
What is the InChIKey of 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde?
The InChIKey is DFXNSNZZHLCBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-7-1-6(3-12)9(11-2-7)14-8-4-13-5-8/h1-3,8H,4-5H2.
What are the key properties of 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde?
5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde has a molecular weight of 213.62 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 119054234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).