3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine

C13H8ClFN4 — CID 46183263

IUPAC3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine
SMILESFc1cccc(Cl)c1-c1cn(-c2cccnc2)nn1
InChIInChI=1S/C13H8ClFN4/c14-10-4-1-5-11(15)13(10)12-8-19(18-17-12)9-3-2-6-16-7-9/h1-8H
InChIKeyBLEJFUQPEPXPHA-UHFFFAOYSA-N
MW274.69 g/mol
LogP3.12
Rot. Bonds2

About 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine

3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine (PubChem CID 46183263) has the molecular formula C13H8ClFN4 and a molecular weight of 274.69 g/mol. Its IUPAC name is 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine
PubChem CID46183263
Molecular FormulaC13H8ClFN4
Molecular Weight274.69 g/mol
Exact Mass274.04
IUPAC Name3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine
SMILESFc1cccc(Cl)c1-c1cn(-c2cccnc2)nn1
InChIInChI=1S/C13H8ClFN4/c14-10-4-1-5-11(15)13(10)12-8-19(18-17-12)9-3-2-6-16-7-9/h1-8H
InChIKeyBLEJFUQPEPXPHA-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-chloro-6-fluorophenyl)triazol-1-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 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine?
The IUPAC name of 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine (CID 46183263) is 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine.
What is the SMILES notation for 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine?
The canonical SMILES for 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine is Fc1cccc(Cl)c1-c1cn(-c2cccnc2)nn1.
What is the InChIKey of 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine?
The InChIKey is BLEJFUQPEPXPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4/c14-10-4-1-5-11(15)13(10)12-8-19(18-17-12)9-3-2-6-16-7-9/h1-8H.
What are the key properties of 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine?
3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine has a molecular weight of 274.69 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chloro-6-fluorophenyl)triazol-1-yl]pyridine is sourced from PubChem (CID 46183263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).