6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine

C9H9ClFNO — CID 176675309

IUPAC6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine
SMILESFc1nc(Cl)ccc1C1CCCO1
InChIInChI=1S/C9H9ClFNO/c10-8-4-3-6(9(11)12-8)7-2-1-5-13-7/h3-4,7H,1-2,5H2
InChIKeyDBKFCKKWQPKWSB-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.73
Rot. Bonds1

About 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine

6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine (PubChem CID 176675309) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine
PubChem CID176675309
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine
SMILESFc1nc(Cl)ccc1C1CCCO1
InChIInChI=1S/C9H9ClFNO/c10-8-4-3-6(9(11)12-8)7-2-1-5-13-7/h3-4,7H,1-2,5H2
InChIKeyDBKFCKKWQPKWSB-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine 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 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine?
The IUPAC name of 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine (CID 176675309) is 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine is Fc1nc(Cl)ccc1C1CCCO1.
What is the InChIKey of 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine?
The InChIKey is DBKFCKKWQPKWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-8-4-3-6(9(11)12-8)7-2-1-5-13-7/h3-4,7H,1-2,5H2.
What are the key properties of 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine?
6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine has a molecular weight of 201.63 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-(oxolan-2-yl)pyridine is sourced from PubChem (CID 176675309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).