2-fluoro-4,5-dimethylpyridine

C7H8FN — CID 51600276

IUPAC2-fluoro-4,5-dimethylpyridine
SMILESCc1cnc(F)cc1C
InChIInChI=1S/C7H8FN/c1-5-3-7(8)9-4-6(5)2/h3-4H,1-2H3
InChIKeyQGFYSMQTXWVDOA-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.84
Rot. Bonds

About 2-fluoro-4,5-dimethylpyridine

2-fluoro-4,5-dimethylpyridine (PubChem CID 51600276) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethylpyridine.

Molecular Properties

Compound Name2-fluoro-4,5-dimethylpyridine
PubChem CID51600276
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name2-fluoro-4,5-dimethylpyridine
SMILESCc1cnc(F)cc1C
InChIInChI=1S/C7H8FN/c1-5-3-7(8)9-4-6(5)2/h3-4H,1-2H3
InChIKeyQGFYSMQTXWVDOA-UHFFFAOYSA-N
XLogP1.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-4,5-dimethylpyridine 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-4,5-dimethylpyridine?
The IUPAC name of 2-fluoro-4,5-dimethylpyridine (CID 51600276) is 2-fluoro-4,5-dimethylpyridine.
What is the SMILES notation for 2-fluoro-4,5-dimethylpyridine?
The canonical SMILES for 2-fluoro-4,5-dimethylpyridine is Cc1cnc(F)cc1C.
What is the InChIKey of 2-fluoro-4,5-dimethylpyridine?
The InChIKey is QGFYSMQTXWVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c1-5-3-7(8)9-4-6(5)2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-4,5-dimethylpyridine?
2-fluoro-4,5-dimethylpyridine has a molecular weight of 125.15 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethylpyridine is sourced from PubChem (CID 51600276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).