3-methoxy-5-(trifluoromethoxy)-1H-indazole

C9H7F3N2O2 — CID 174707060

IUPAC3-methoxy-5-(trifluoromethoxy)-1H-indazole
SMILESCOc1n[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C9H7F3N2O2/c1-15-8-6-4-5(16-9(10,11)12)2-3-7(6)13-14-8/h2-4H,1H3,(H,13,14)
InChIKeyIRVXPNLONNLVNX-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.47
Rot. Bonds2

About 3-methoxy-5-(trifluoromethoxy)-1H-indazole

3-methoxy-5-(trifluoromethoxy)-1H-indazole (PubChem CID 174707060) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 3-methoxy-5-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound Name3-methoxy-5-(trifluoromethoxy)-1H-indazole
PubChem CID174707060
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name3-methoxy-5-(trifluoromethoxy)-1H-indazole
SMILESCOc1n[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C9H7F3N2O2/c1-15-8-6-4-5(16-9(10,11)12)2-3-7(6)13-14-8/h2-4H,1H3,(H,13,14)
InChIKeyIRVXPNLONNLVNX-UHFFFAOYSA-N
XLogP2.47
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(trifluoromethoxy)-1H-indazole?
The IUPAC name of 3-methoxy-5-(trifluoromethoxy)-1H-indazole (CID 174707060) is 3-methoxy-5-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for 3-methoxy-5-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for 3-methoxy-5-(trifluoromethoxy)-1H-indazole is COc1n[nH]c2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 3-methoxy-5-(trifluoromethoxy)-1H-indazole?
The InChIKey is IRVXPNLONNLVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c1-15-8-6-4-5(16-9(10,11)12)2-3-7(6)13-14-8/h2-4H,1H3,(H,13,14).
What are the key properties of 3-methoxy-5-(trifluoromethoxy)-1H-indazole?
3-methoxy-5-(trifluoromethoxy)-1H-indazole has a molecular weight of 232.16 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 174707060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).