8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine

C11H11ClIN3 — CID 134450066

IUPAC8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1c(I)ccn2nc(C3CCCC3)nc12
InChIInChI=1S/C11H11ClIN3/c12-9-8(13)5-6-16-11(9)14-10(15-16)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyZZBKOLOJVADGBC-UHFFFAOYSA-N
MW347.59 g/mol
LogP3.64
Rot. Bonds1

About 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine

8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134450066) has the molecular formula C11H11ClIN3 and a molecular weight of 347.59 g/mol. Its IUPAC name is 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134450066
Molecular FormulaC11H11ClIN3
Molecular Weight347.59 g/mol
Exact Mass346.97
IUPAC Name8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1c(I)ccn2nc(C3CCCC3)nc12
InChIInChI=1S/C11H11ClIN3/c12-9-8(13)5-6-16-11(9)14-10(15-16)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyZZBKOLOJVADGBC-UHFFFAOYSA-N
XLogP3.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine (CID 134450066) is 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine is Clc1c(I)ccn2nc(C3CCCC3)nc12.
What is the InChIKey of 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZZBKOLOJVADGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClIN3/c12-9-8(13)5-6-16-11(9)14-10(15-16)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine?
8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 347.59 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-cyclopentyl-7-iodo-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134450066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).