2-iodo-[1,2,4]triazolo[1,5-a]pyridine

C6H4IN3 — CID 73425021

IUPAC2-iodo-[1,2,4]triazolo[1,5-a]pyridine
SMILESIc1nc2ccccn2n1
InChIInChI=1S/C6H4IN3/c7-6-8-5-3-1-2-4-10(5)9-6/h1-4H
InChIKeyKRHPHZSDBGDRIU-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.33
Rot. Bonds

About 2-iodo-[1,2,4]triazolo[1,5-a]pyridine

2-iodo-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 73425021) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 2-iodo-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-iodo-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID73425021
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name2-iodo-[1,2,4]triazolo[1,5-a]pyridine
SMILESIc1nc2ccccn2n1
InChIInChI=1S/C6H4IN3/c7-6-8-5-3-1-2-4-10(5)9-6/h1-4H
InChIKeyKRHPHZSDBGDRIU-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 2-iodo-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-iodo-[1,2,4]triazolo[1,5-a]pyridine (CID 73425021) is 2-iodo-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-iodo-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-iodo-[1,2,4]triazolo[1,5-a]pyridine is Ic1nc2ccccn2n1.
What is the InChIKey of 2-iodo-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KRHPHZSDBGDRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-6-8-5-3-1-2-4-10(5)9-6/h1-4H.
What are the key properties of 2-iodo-[1,2,4]triazolo[1,5-a]pyridine?
2-iodo-[1,2,4]triazolo[1,5-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 2-iodo-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 73425021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).