2-chloro-3-ethenyl-6-fluoropyridine

C7H5ClFN — CID 74891734

IUPAC2-chloro-3-ethenyl-6-fluoropyridine
SMILESC=Cc1ccc(F)nc1Cl
InChIInChI=1S/C7H5ClFN/c1-2-5-3-4-6(9)10-7(5)8/h2-4H,1H2
InChIKeyLMOYHSCFGCKJMW-UHFFFAOYSA-N
MW157.57 g/mol
LogP2.52
Rot. Bonds1

About 2-chloro-3-ethenyl-6-fluoropyridine

2-chloro-3-ethenyl-6-fluoropyridine (PubChem CID 74891734) has the molecular formula C7H5ClFN and a molecular weight of 157.57 g/mol. Its IUPAC name is 2-chloro-3-ethenyl-6-fluoropyridine.

Molecular Properties

Compound Name2-chloro-3-ethenyl-6-fluoropyridine
PubChem CID74891734
Molecular FormulaC7H5ClFN
Molecular Weight157.57 g/mol
Exact Mass157.01
IUPAC Name2-chloro-3-ethenyl-6-fluoropyridine
SMILESC=Cc1ccc(F)nc1Cl
InChIInChI=1S/C7H5ClFN/c1-2-5-3-4-6(9)10-7(5)8/h2-4H,1H2
InChIKeyLMOYHSCFGCKJMW-UHFFFAOYSA-N
XLogP2.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.57
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-3-ethenyl-6-fluoropyridine 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-chloro-3-ethenyl-6-fluoropyridine?
The IUPAC name of 2-chloro-3-ethenyl-6-fluoropyridine (CID 74891734) is 2-chloro-3-ethenyl-6-fluoropyridine.
What is the SMILES notation for 2-chloro-3-ethenyl-6-fluoropyridine?
The canonical SMILES for 2-chloro-3-ethenyl-6-fluoropyridine is C=Cc1ccc(F)nc1Cl.
What is the InChIKey of 2-chloro-3-ethenyl-6-fluoropyridine?
The InChIKey is LMOYHSCFGCKJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN/c1-2-5-3-4-6(9)10-7(5)8/h2-4H,1H2.
What are the key properties of 2-chloro-3-ethenyl-6-fluoropyridine?
2-chloro-3-ethenyl-6-fluoropyridine has a molecular weight of 157.57 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethenyl-6-fluoropyridine is sourced from PubChem (CID 74891734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).