2-chloro-6-(3-fluorooxolan-3-yl)pyridine

C9H9ClFNO — CID 170577221

IUPAC2-chloro-6-(3-fluorooxolan-3-yl)pyridine
SMILESFC1(c2cccc(Cl)n2)CCOC1
InChIInChI=1S/C9H9ClFNO/c10-8-3-1-2-7(12-8)9(11)4-5-13-6-9/h1-3H,4-6H2
InChIKeyGLMIVYDRMXBIAY-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.32
Rot. Bonds1

About 2-chloro-6-(3-fluorooxolan-3-yl)pyridine

2-chloro-6-(3-fluorooxolan-3-yl)pyridine (PubChem CID 170577221) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-6-(3-fluorooxolan-3-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-fluorooxolan-3-yl)pyridine
PubChem CID170577221
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-6-(3-fluorooxolan-3-yl)pyridine
SMILESFC1(c2cccc(Cl)n2)CCOC1
InChIInChI=1S/C9H9ClFNO/c10-8-3-1-2-7(12-8)9(11)4-5-13-6-9/h1-3H,4-6H2
InChIKeyGLMIVYDRMXBIAY-UHFFFAOYSA-N
XLogP2.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluorooxolan-3-yl)pyridine?
The IUPAC name of 2-chloro-6-(3-fluorooxolan-3-yl)pyridine (CID 170577221) is 2-chloro-6-(3-fluorooxolan-3-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-fluorooxolan-3-yl)pyridine?
The canonical SMILES for 2-chloro-6-(3-fluorooxolan-3-yl)pyridine is FC1(c2cccc(Cl)n2)CCOC1.
What is the InChIKey of 2-chloro-6-(3-fluorooxolan-3-yl)pyridine?
The InChIKey is GLMIVYDRMXBIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-8-3-1-2-7(12-8)9(11)4-5-13-6-9/h1-3H,4-6H2.
What are the key properties of 2-chloro-6-(3-fluorooxolan-3-yl)pyridine?
2-chloro-6-(3-fluorooxolan-3-yl)pyridine has a molecular weight of 201.63 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-fluorooxolan-3-yl)pyridine is sourced from PubChem (CID 170577221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).