2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H10IN3O — CID 59199096

IUPAC2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cccn3nc(I)nc23)cc1
InChIInChI=1S/C13H10IN3O/c1-18-10-6-4-9(5-7-10)11-3-2-8-17-12(11)15-13(14)16-17/h2-8H,1H3
InChIKeyZPXOTNJFDVKGFS-UHFFFAOYSA-N
MW351.15 g/mol
LogP3.01
Rot. Bonds2

About 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59199096) has the molecular formula C13H10IN3O and a molecular weight of 351.15 g/mol. Its IUPAC name is 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59199096
Molecular FormulaC13H10IN3O
Molecular Weight351.15 g/mol
Exact Mass350.99
IUPAC Name2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cccn3nc(I)nc23)cc1
InChIInChI=1S/C13H10IN3O/c1-18-10-6-4-9(5-7-10)11-3-2-8-17-12(11)15-13(14)16-17/h2-8H,1H3
InChIKeyZPXOTNJFDVKGFS-UHFFFAOYSA-N
XLogP3.01
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70929679
1-[3-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 90798542
1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 68796293
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348
N,N'-diamino-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenecarboximidamide
CID 143916106
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44554489
2-bromo-8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 67343447
N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44623824
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 123855577
2-methoxy-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 116989886

Frequently Asked Questions

What is the IUPAC name of 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 59199096) is 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(-c2cccn3nc(I)nc23)cc1.
What is the InChIKey of 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZPXOTNJFDVKGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O/c1-18-10-6-4-9(5-7-10)11-3-2-8-17-12(11)15-13(14)16-17/h2-8H,1H3.
What are the key properties of 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 351.15 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59199096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).