6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile

C15H6FN3 — CID 70689178

IUPAC6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(F)cc(C#Cc2cccc(C#N)n2)c1
InChIInChI=1S/C15H6FN3/c16-13-7-11(6-12(8-13)9-17)4-5-14-2-1-3-15(10-18)19-14/h1-3,6-8H
InChIKeyDUKGFMFYZDDUHV-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.36
Rot. Bonds

About 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile

6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile (PubChem CID 70689178) has the molecular formula C15H6FN3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile
PubChem CID70689178
Molecular FormulaC15H6FN3
Molecular Weight247.23 g/mol
Exact Mass247.05
IUPAC Name6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(F)cc(C#Cc2cccc(C#N)n2)c1
InChIInChI=1S/C15H6FN3/c16-13-7-11(6-12(8-13)9-17)4-5-14-2-1-3-15(10-18)19-14/h1-3,6-8H
InChIKeyDUKGFMFYZDDUHV-UHFFFAOYSA-N
XLogP2.36
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile (CID 70689178) is 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile is N#Cc1cc(F)cc(C#Cc2cccc(C#N)n2)c1.
What is the InChIKey of 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile?
The InChIKey is DUKGFMFYZDDUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6FN3/c16-13-7-11(6-12(8-13)9-17)4-5-14-2-1-3-15(10-18)19-14/h1-3,6-8H.
What are the key properties of 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile?
6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile has a molecular weight of 247.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyano-5-fluorophenyl)ethynyl]pyridine-2-carbonitrile is sourced from PubChem (CID 70689178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).