3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine

C20H15FN4 — CID 155524105

IUPAC3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine
SMILESFc1ccccc1-c1cn(Cc2ccc(-c3cccnc3)cc2)nn1
InChIInChI=1S/C20H15FN4/c21-19-6-2-1-5-18(19)20-14-25(24-23-20)13-15-7-9-16(10-8-15)17-4-3-11-22-12-17/h1-12,14H,13H2
InChIKeyDJCCECXADYTNDZ-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.19
Rot. Bonds4

About 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine

3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine (PubChem CID 155524105) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine
PubChem CID155524105
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC Name3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine
SMILESFc1ccccc1-c1cn(Cc2ccc(-c3cccnc3)cc2)nn1
InChIInChI=1S/C20H15FN4/c21-19-6-2-1-5-18(19)20-14-25(24-23-20)13-15-7-9-16(10-8-15)17-4-3-11-22-12-17/h1-12,14H,13H2
InChIKeyDJCCECXADYTNDZ-UHFFFAOYSA-N
XLogP4.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]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 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine?
The IUPAC name of 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine (CID 155524105) is 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine is Fc1ccccc1-c1cn(Cc2ccc(-c3cccnc3)cc2)nn1.
What is the InChIKey of 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine?
The InChIKey is DJCCECXADYTNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c21-19-6-2-1-5-18(19)20-14-25(24-23-20)13-15-7-9-16(10-8-15)17-4-3-11-22-12-17/h1-12,14H,13H2.
What are the key properties of 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine?
3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine has a molecular weight of 330.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]pyridine is sourced from PubChem (CID 155524105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).