2-[1-(4-chlorophenyl)triazol-4-yl]pyridine

C13H9ClN4 — CID 57393650

IUPAC2-[1-(4-chlorophenyl)triazol-4-yl]pyridine
SMILESClc1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C13H9ClN4/c14-10-4-6-11(7-5-10)18-9-13(16-17-18)12-3-1-2-8-15-12/h1-9H
InChIKeyRTBUWXKBWXIXRG-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine

2-[1-(4-chlorophenyl)triazol-4-yl]pyridine (PubChem CID 57393650) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)triazol-4-yl]pyridine
PubChem CID57393650
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name2-[1-(4-chlorophenyl)triazol-4-yl]pyridine
SMILESClc1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C13H9ClN4/c14-10-4-6-11(7-5-10)18-9-13(16-17-18)12-3-1-2-8-15-12/h1-9H
InChIKeyRTBUWXKBWXIXRG-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine?
The IUPAC name of 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine (CID 57393650) is 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine is Clc1ccc(-n2cc(-c3ccccn3)nn2)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine?
The InChIKey is RTBUWXKBWXIXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-10-4-6-11(7-5-10)18-9-13(16-17-18)12-3-1-2-8-15-12/h1-9H.
What are the key properties of 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine?
2-[1-(4-chlorophenyl)triazol-4-yl]pyridine has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 57393650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).