7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H10ClFN4 — CID 90096257

IUPAC7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1ccc(-c2ncccc2-c2ccn3ncnc3c2)cc1Cl
InChIInChI=1S/C17H10ClFN4/c18-14-8-12(3-4-15(14)19)17-13(2-1-6-20-17)11-5-7-23-16(9-11)21-10-22-23/h1-10H
InChIKeyBYLZZISVCIALTP-UHFFFAOYSA-N
MW324.75 g/mol
LogP4.25
Rot. Bonds2

About 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90096257) has the molecular formula C17H10ClFN4 and a molecular weight of 324.75 g/mol. Its IUPAC name is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90096257
Molecular FormulaC17H10ClFN4
Molecular Weight324.75 g/mol
Exact Mass324.06
IUPAC Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1ccc(-c2ncccc2-c2ccn3ncnc3c2)cc1Cl
InChIInChI=1S/C17H10ClFN4/c18-14-8-12(3-4-15(14)19)17-13(2-1-6-20-17)11-5-7-23-16(9-11)21-10-22-23/h1-10H
InChIKeyBYLZZISVCIALTP-UHFFFAOYSA-N
XLogP4.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 90096257) is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is Fc1ccc(-c2ncccc2-c2ccn3ncnc3c2)cc1Cl.
What is the InChIKey of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BYLZZISVCIALTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4/c18-14-8-12(3-4-15(14)19)17-13(2-1-6-20-17)11-5-7-23-16(9-11)21-10-22-23/h1-10H.
What are the key properties of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 324.75 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90096257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).