4-iodo-5-(trifluoromethoxy)-1H-indazole

C8H4F3IN2O — CID 167294347

IUPAC4-iodo-5-(trifluoromethoxy)-1H-indazole
SMILESFC(F)(F)Oc1ccc2[nH]ncc2c1I
InChIInChI=1S/C8H4F3IN2O/c9-8(10,11)15-6-2-1-5-4(7(6)12)3-13-14-5/h1-3H,(H,13,14)
InChIKeyGRLNJVAZTXKUMU-UHFFFAOYSA-N
MW328.03 g/mol
LogP3.07
Rot. Bonds1

About 4-iodo-5-(trifluoromethoxy)-1H-indazole

4-iodo-5-(trifluoromethoxy)-1H-indazole (PubChem CID 167294347) has the molecular formula C8H4F3IN2O and a molecular weight of 328.03 g/mol. Its IUPAC name is 4-iodo-5-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound Name4-iodo-5-(trifluoromethoxy)-1H-indazole
PubChem CID167294347
Molecular FormulaC8H4F3IN2O
Molecular Weight328.03 g/mol
Exact Mass327.93
IUPAC Name4-iodo-5-(trifluoromethoxy)-1H-indazole
SMILESFC(F)(F)Oc1ccc2[nH]ncc2c1I
InChIInChI=1S/C8H4F3IN2O/c9-8(10,11)15-6-2-1-5-4(7(6)12)3-13-14-5/h1-3H,(H,13,14)
InChIKeyGRLNJVAZTXKUMU-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

4-bromo-5-methoxy-1H-indazole
CID 46941913
5-methoxy-1H-indazol-4-amine
CID 76845989
(4-fluoro-1H-indazol-5-yl) hydrogen carbonate
CID 67312196
CID 174665708
CID 174665708
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
1,4-diiodo-2-(trifluoromethoxy)benzene
CID 146764437
4-fluoro-5-(1-iodoethyl)-1H-indazole
CID 135227288
5-chloro-4-iodo-6-methyl-1H-indazole
CID 176951364
5-tert-butyl-4-methyl-1H-indazole
CID 134492253
1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
CID 173196133
3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride
CID 18447120

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(trifluoromethoxy)-1H-indazole?
The IUPAC name of 4-iodo-5-(trifluoromethoxy)-1H-indazole (CID 167294347) is 4-iodo-5-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for 4-iodo-5-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for 4-iodo-5-(trifluoromethoxy)-1H-indazole is FC(F)(F)Oc1ccc2[nH]ncc2c1I.
What is the InChIKey of 4-iodo-5-(trifluoromethoxy)-1H-indazole?
The InChIKey is GRLNJVAZTXKUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IN2O/c9-8(10,11)15-6-2-1-5-4(7(6)12)3-13-14-5/h1-3H,(H,13,14).
What are the key properties of 4-iodo-5-(trifluoromethoxy)-1H-indazole?
4-iodo-5-(trifluoromethoxy)-1H-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 4-iodo-5-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 167294347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).