4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine

C13H8Cl2N4 — CID 30032776

IUPAC4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILESClc1ccc(-n2nc(Cl)nc2-c2ccncc2)cc1
InChIInChI=1S/C13H8Cl2N4/c14-10-1-3-11(4-2-10)19-12(17-13(15)18-19)9-5-7-16-8-6-9/h1-8H
InChIKeyMZXUNGHHZICNPJ-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.64
Rot. Bonds2

About 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine

4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 30032776) has the molecular formula C13H8Cl2N4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID30032776
Molecular FormulaC13H8Cl2N4
Molecular Weight291.14 g/mol
Exact Mass290.01
IUPAC Name4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILESClc1ccc(-n2nc(Cl)nc2-c2ccncc2)cc1
InChIInChI=1S/C13H8Cl2N4/c14-10-1-3-11(4-2-10)19-12(17-13(15)18-19)9-5-7-16-8-6-9/h1-8H
InChIKeyMZXUNGHHZICNPJ-UHFFFAOYSA-N
XLogP3.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine (CID 30032776) is 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine is Clc1ccc(-n2nc(Cl)nc2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is MZXUNGHHZICNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4/c14-10-1-3-11(4-2-10)19-12(17-13(15)18-19)9-5-7-16-8-6-9/h1-8H.
What are the key properties of 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine?
4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 291.14 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 30032776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).