6-iodo-[1,2,4]triazolo[4,3-a]pyridine

C6H4IN3 — CID 69371559

IUPAC6-iodo-[1,2,4]triazolo[4,3-a]pyridine
SMILESIc1ccc2nncn2c1
InChIInChI=1S/C6H4IN3/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H
InChIKeyKYFSNMZTECANAZ-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.33
Rot. Bonds

About 6-iodo-[1,2,4]triazolo[4,3-a]pyridine

6-iodo-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 69371559) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 6-iodo-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-iodo-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID69371559
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name6-iodo-[1,2,4]triazolo[4,3-a]pyridine
SMILESIc1ccc2nncn2c1
InChIInChI=1S/C6H4IN3/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H
InChIKeyKYFSNMZTECANAZ-UHFFFAOYSA-N
XLogP1.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 51.33
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 6-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-iodo-[1,2,4]triazolo[4,3-a]pyridine (CID 69371559) is 6-iodo-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-iodo-[1,2,4]triazolo[4,3-a]pyridine is Ic1ccc2nncn2c1.
What is the InChIKey of 6-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KYFSNMZTECANAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H.
What are the key properties of 6-iodo-[1,2,4]triazolo[4,3-a]pyridine?
6-iodo-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 245.02 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 69371559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).