2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine

C13H16ClNO4 — CID 139464616

IUPAC2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine
SMILESCOC1(c2cc(OC3COC3)cc(Cl)n2)CCOC1
InChIInChI=1S/C13H16ClNO4/c1-16-13(2-3-17-8-13)11-4-9(5-12(14)15-11)19-10-6-18-7-10/h4-5,10H,2-3,6-8H2,1H3
InChIKeyOXFDIXDXDBUMQG-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.77
Rot. Bonds4

About 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine

2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine (PubChem CID 139464616) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine
PubChem CID139464616
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine
SMILESCOC1(c2cc(OC3COC3)cc(Cl)n2)CCOC1
InChIInChI=1S/C13H16ClNO4/c1-16-13(2-3-17-8-13)11-4-9(5-12(14)15-11)19-10-6-18-7-10/h4-5,10H,2-3,6-8H2,1H3
InChIKeyOXFDIXDXDBUMQG-UHFFFAOYSA-N
XLogP1.77
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine?
The IUPAC name of 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine (CID 139464616) is 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine.
What is the SMILES notation for 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine?
The canonical SMILES for 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine is COC1(c2cc(OC3COC3)cc(Cl)n2)CCOC1.
What is the InChIKey of 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine?
The InChIKey is OXFDIXDXDBUMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-16-13(2-3-17-8-13)11-4-9(5-12(14)15-11)19-10-6-18-7-10/h4-5,10H,2-3,6-8H2,1H3.
What are the key properties of 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine?
2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine has a molecular weight of 285.73 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine is sourced from PubChem (CID 139464616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).