8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C8H5F3IN3O — CID 172730406

IUPAC8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1nc2c(OCI)cccn2n1
InChIInChI=1S/C8H5F3IN3O/c9-8(10,11)7-13-6-5(16-4-12)2-1-3-15(6)14-7/h1-3H,4H2
InChIKeyHSISJHYNNAXROT-UHFFFAOYSA-N
MW343.05 g/mol
LogP2.52
Rot. Bonds2

About 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 172730406) has the molecular formula C8H5F3IN3O and a molecular weight of 343.05 g/mol. Its IUPAC name is 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID172730406
Molecular FormulaC8H5F3IN3O
Molecular Weight343.05 g/mol
Exact Mass342.94
IUPAC Name8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1nc2c(OCI)cccn2n1
InChIInChI=1S/C8H5F3IN3O/c9-8(10,11)7-13-6-5(16-4-12)2-1-3-15(6)14-7/h1-3H,4H2
InChIKeyHSISJHYNNAXROT-UHFFFAOYSA-N
XLogP2.52
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.05
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 172730406) is 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)c1nc2c(OCI)cccn2n1.
What is the InChIKey of 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HSISJHYNNAXROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3IN3O/c9-8(10,11)7-13-6-5(16-4-12)2-1-3-15(6)14-7/h1-3H,4H2.
What are the key properties of 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 343.05 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 172730406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).