6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H10Cl2N4 — CID 90095469

IUPAC6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cc(Cl)cc(-c2ncccc2-c2ccc3ncnn3c2)c1
InChIInChI=1S/C17H10Cl2N4/c18-13-6-12(7-14(19)8-13)17-15(2-1-5-20-17)11-3-4-16-21-10-22-23(16)9-11/h1-10H
InChIKeyVTKQAYJNJZFEAL-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.77
Rot. Bonds2

About 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90095469) has the molecular formula C17H10Cl2N4 and a molecular weight of 341.20 g/mol. Its IUPAC name is 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90095469
Molecular FormulaC17H10Cl2N4
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cc(Cl)cc(-c2ncccc2-c2ccc3ncnn3c2)c1
InChIInChI=1S/C17H10Cl2N4/c18-13-6-12(7-14(19)8-13)17-15(2-1-5-20-17)11-3-4-16-21-10-22-23(16)9-11/h1-10H
InChIKeyVTKQAYJNJZFEAL-UHFFFAOYSA-N
XLogP4.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 90095469) is 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is Clc1cc(Cl)cc(-c2ncccc2-c2ccc3ncnn3c2)c1.
What is the InChIKey of 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VTKQAYJNJZFEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4/c18-13-6-12(7-14(19)8-13)17-15(2-1-5-20-17)11-3-4-16-21-10-22-23(16)9-11/h1-10H.
What are the key properties of 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 341.20 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90095469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).