4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine

C13H9FN4 — CID 22725982

IUPAC4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine
SMILESFc1ccc(-c2n[nH]nc2-c2ccncc2)cc1
InChIInChI=1S/C13H9FN4/c14-11-3-1-9(2-4-11)12-13(17-18-16-12)10-5-7-15-8-6-10/h1-8H,(H,16,17,18)
InChIKeyGIUKJOXZIFLOOD-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.67
Rot. Bonds2

About 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine (PubChem CID 22725982) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine
PubChem CID22725982
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine
SMILESFc1ccc(-c2n[nH]nc2-c2ccncc2)cc1
InChIInChI=1S/C13H9FN4/c14-11-3-1-9(2-4-11)12-13(17-18-16-12)10-5-7-15-8-6-10/h1-8H,(H,16,17,18)
InChIKeyGIUKJOXZIFLOOD-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine (CID 22725982) is 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine is Fc1ccc(-c2n[nH]nc2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine?
The InChIKey is GIUKJOXZIFLOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-11-3-1-9(2-4-11)12-13(17-18-16-12)10-5-7-15-8-6-10/h1-8H,(H,16,17,18).
What are the key properties of 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine has a molecular weight of 240.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine is sourced from PubChem (CID 22725982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).