4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine

C20H14F2N4 — CID 10269211

IUPAC4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine
SMILESCc1cc(F)ccc1-n1nnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C20H14F2N4/c1-13-12-17(22)6-7-18(13)26-20(15-8-10-23-11-9-15)19(24-25-26)14-2-4-16(21)5-3-14/h2-12H,1H3
InChIKeyQLSDJESRGFIVDB-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.58
Rot. Bonds3

About 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine

4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine (PubChem CID 10269211) has the molecular formula C20H14F2N4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine
PubChem CID10269211
Molecular FormulaC20H14F2N4
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine
SMILESCc1cc(F)ccc1-n1nnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C20H14F2N4/c1-13-12-17(22)6-7-18(13)26-20(15-8-10-23-11-9-15)19(24-25-26)14-2-4-16(21)5-3-14/h2-12H,1H3
InChIKeyQLSDJESRGFIVDB-UHFFFAOYSA-N
XLogP4.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine 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 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine (CID 10269211) is 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine is Cc1cc(F)ccc1-n1nnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine?
The InChIKey is QLSDJESRGFIVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4/c1-13-12-17(22)6-7-18(13)26-20(15-8-10-23-11-9-15)19(24-25-26)14-2-4-16(21)5-3-14/h2-12H,1H3.
What are the key properties of 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine?
4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine has a molecular weight of 348.36 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 10269211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).