8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine

C7H6IN3 — CID 155239872

IUPAC8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccn2cnnc2c1I
InChIInChI=1S/C7H6IN3/c1-5-2-3-11-4-9-10-7(11)6(5)8/h2-4H,1H3
InChIKeyOGPOBJLITTVURV-UHFFFAOYSA-N
MW259.05 g/mol
LogP1.64
Rot. Bonds

About 8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine

8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155239872) has the molecular formula C7H6IN3 and a molecular weight of 259.05 g/mol. Its IUPAC name is 8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155239872
Molecular FormulaC7H6IN3
Molecular Weight259.05 g/mol
Exact Mass258.96
IUPAC Name8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccn2cnnc2c1I
InChIInChI=1S/C7H6IN3/c1-5-2-3-11-4-9-10-7(11)6(5)8/h2-4H,1H3
InChIKeyOGPOBJLITTVURV-UHFFFAOYSA-N
XLogP1.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 51.64
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-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 155239872) is 8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccn2cnnc2c1I.
What is the InChIKey of 8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OGPOBJLITTVURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3/c1-5-2-3-11-4-9-10-7(11)6(5)8/h2-4H,1H3.
What are the key properties of 8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 259.05 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155239872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).