3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine

C7H3F3IN3O — CID 138110004

IUPAC3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)Oc1cnc2c(I)[nH]nc2c1
InChIInChI=1S/C7H3F3IN3O/c8-7(9,10)15-3-1-4-5(12-2-3)6(11)14-13-4/h1-2H,(H,13,14)
InChIKeyXQZBSIRPVVEXEA-UHFFFAOYSA-N
MW329.02 g/mol
LogP2.46
Rot. Bonds1

About 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine

3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine (PubChem CID 138110004) has the molecular formula C7H3F3IN3O and a molecular weight of 329.02 g/mol. Its IUPAC name is 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine
PubChem CID138110004
Molecular FormulaC7H3F3IN3O
Molecular Weight329.02 g/mol
Exact Mass328.93
IUPAC Name3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)Oc1cnc2c(I)[nH]nc2c1
InChIInChI=1S/C7H3F3IN3O/c8-7(9,10)15-3-1-4-5(12-2-3)6(11)14-13-4/h1-2H,(H,13,14)
InChIKeyXQZBSIRPVVEXEA-UHFFFAOYSA-N
XLogP2.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.02
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine (CID 138110004) is 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine is FC(F)(F)Oc1cnc2c(I)[nH]nc2c1.
What is the InChIKey of 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine?
The InChIKey is XQZBSIRPVVEXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3IN3O/c8-7(9,10)15-3-1-4-5(12-2-3)6(11)14-13-4/h1-2H,(H,13,14).
What are the key properties of 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine?
3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine has a molecular weight of 329.02 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-(trifluoromethoxy)-2H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 138110004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).