2-fluoro-4-(oxan-4-yl)pyridine

C10H12FNO — CID 58548478

IUPAC2-fluoro-4-(oxan-4-yl)pyridine
SMILESFc1cc(C2CCOCC2)ccn1
InChIInChI=1S/C10H12FNO/c11-10-7-9(1-4-12-10)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2
InChIKeyCZSGMFLFHKMRFD-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.11
Rot. Bonds1

About 2-fluoro-4-(oxan-4-yl)pyridine

2-fluoro-4-(oxan-4-yl)pyridine (PubChem CID 58548478) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-fluoro-4-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-4-(oxan-4-yl)pyridine
PubChem CID58548478
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-fluoro-4-(oxan-4-yl)pyridine
SMILESFc1cc(C2CCOCC2)ccn1
InChIInChI=1S/C10H12FNO/c11-10-7-9(1-4-12-10)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2
InChIKeyCZSGMFLFHKMRFD-UHFFFAOYSA-N
XLogP2.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(oxan-4-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 2-fluoro-4-(oxan-4-yl)pyridine?
The IUPAC name of 2-fluoro-4-(oxan-4-yl)pyridine (CID 58548478) is 2-fluoro-4-(oxan-4-yl)pyridine.
What is the SMILES notation for 2-fluoro-4-(oxan-4-yl)pyridine?
The canonical SMILES for 2-fluoro-4-(oxan-4-yl)pyridine is Fc1cc(C2CCOCC2)ccn1.
What is the InChIKey of 2-fluoro-4-(oxan-4-yl)pyridine?
The InChIKey is CZSGMFLFHKMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-10-7-9(1-4-12-10)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2.
What are the key properties of 2-fluoro-4-(oxan-4-yl)pyridine?
2-fluoro-4-(oxan-4-yl)pyridine has a molecular weight of 181.21 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(oxan-4-yl)pyridine is sourced from PubChem (CID 58548478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).