3-[2-(2-chloranylpyrimidin-4-yl)ethynyl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[2-(2-chloranylpyrimidin-4-yl)ethynyl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[2-(2-chloropyrimidin-4-yl)ethynyl]-5-fluoro-benzonitrile CAS Name: 3-[2-(2-chloro-4-pyrimidinyl)ethynyl]-5-fluorobenzonitrile IUPAC Name: 3-[2-(2-chloropyrimidin-4-yl)ethynyl]-5-fluorobenzonitrile Traditional Name: 3-[2-(2-chloropyrimidin-4-yl)ethynyl]-5-fluoro-benzonitrile Formula: C13H5ClFN3 MolecularWeight: 257.650303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1C#CC2=CC(=CC(=C2)F)C#N)Cl

Isomeric SMILES

C1=CN=C(N=C1C#CC2=CC(=CC(=C2)F)C#N)Cl

InChI

InChI=1S/C13H5ClFN3/c14-13-17-4-3-12(18-13)2-1-9-5-10(8-16)7-11(15)6-9/h3-7H