methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate

C16H12F3N3O3 — CID 170602810

IUPACmethyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(OCc3cccnc3C(F)(F)F)cc12
InChIInChI=1S/C16H12F3N3O3/c1-24-15(23)13-11-7-10(4-5-12(11)21-22-13)25-8-9-3-2-6-20-14(9)16(17,18)19/h2-7H,8H2,1H3,(H,21,22)
InChIKeyWHBZQLSKWQGWAA-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.34
Rot. Bonds4

About methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate

methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate (PubChem CID 170602810) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate
PubChem CID170602810
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Namemethyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(OCc3cccnc3C(F)(F)F)cc12
InChIInChI=1S/C16H12F3N3O3/c1-24-15(23)13-11-7-10(4-5-12(11)21-22-13)25-8-9-3-2-6-20-14(9)16(17,18)19/h2-7H,8H2,1H3,(H,21,22)
InChIKeyWHBZQLSKWQGWAA-UHFFFAOYSA-N
XLogP3.34
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate?
The IUPAC name of methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate (CID 170602810) is methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate is COC(=O)c1n[nH]c2ccc(OCc3cccnc3C(F)(F)F)cc12.
What is the InChIKey of methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate?
The InChIKey is WHBZQLSKWQGWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-24-15(23)13-11-7-10(4-5-12(11)21-22-13)25-8-9-3-2-6-20-14(9)16(17,18)19/h2-7H,8H2,1H3,(H,21,22).
What are the key properties of methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate?
methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate has a molecular weight of 351.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate is sourced from PubChem (CID 170602810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).