3-iodo-6-(trifluoromethoxy)-2H-indazole

C8H4F3IN2O — CID 124518985

IUPAC3-iodo-6-(trifluoromethoxy)-2H-indazole
SMILESFC(F)(F)Oc1ccc2c(I)[nH]nc2c1
InChIInChI=1S/C8H4F3IN2O/c9-8(10,11)15-4-1-2-5-6(3-4)13-14-7(5)12/h1-3H,(H,13,14)
InChIKeyZVZMJKIGFPFVTH-UHFFFAOYSA-N
MW328.03 g/mol
LogP3.07
Rot. Bonds1

About 3-iodo-6-(trifluoromethoxy)-2H-indazole

3-iodo-6-(trifluoromethoxy)-2H-indazole (PubChem CID 124518985) has the molecular formula C8H4F3IN2O and a molecular weight of 328.03 g/mol. Its IUPAC name is 3-iodo-6-(trifluoromethoxy)-2H-indazole.

Molecular Properties

Compound Name3-iodo-6-(trifluoromethoxy)-2H-indazole
PubChem CID124518985
Molecular FormulaC8H4F3IN2O
Molecular Weight328.03 g/mol
Exact Mass327.93
IUPAC Name3-iodo-6-(trifluoromethoxy)-2H-indazole
SMILESFC(F)(F)Oc1ccc2c(I)[nH]nc2c1
InChIInChI=1S/C8H4F3IN2O/c9-8(10,11)15-4-1-2-5-6(3-4)13-14-7(5)12/h1-3H,(H,13,14)
InChIKeyZVZMJKIGFPFVTH-UHFFFAOYSA-N
XLogP3.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.03
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethoxy)triphenylene
CID 154001040
3-methoxy-5-(trifluoromethoxy)-1H-indazole
CID 174707060
dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane
CID 142542885
2-bromo-6-(trifluoromethoxy)indazole
CID 150469832
2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole
CID 171483142
6-(trifluoromethoxy)quinazolin-4-amine
CID 156900146
4-(trifluoromethoxy)-2-trimethylsilyloxyaniline
CID 167735679
2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one
CID 139222854
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-(trifluoromethoxy)-2H-indazole?
The IUPAC name of 3-iodo-6-(trifluoromethoxy)-2H-indazole (CID 124518985) is 3-iodo-6-(trifluoromethoxy)-2H-indazole.
What is the SMILES notation for 3-iodo-6-(trifluoromethoxy)-2H-indazole?
The canonical SMILES for 3-iodo-6-(trifluoromethoxy)-2H-indazole is FC(F)(F)Oc1ccc2c(I)[nH]nc2c1.
What is the InChIKey of 3-iodo-6-(trifluoromethoxy)-2H-indazole?
The InChIKey is ZVZMJKIGFPFVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IN2O/c9-8(10,11)15-4-1-2-5-6(3-4)13-14-7(5)12/h1-3H,(H,13,14).
What are the key properties of 3-iodo-6-(trifluoromethoxy)-2H-indazole?
3-iodo-6-(trifluoromethoxy)-2H-indazole has a molecular weight of 328.03 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-(trifluoromethoxy)-2H-indazole is sourced from PubChem (CID 124518985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).