methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate

C10H7F3N2O2 — CID 67491553

IUPACmethyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C10H7F3N2O2/c1-17-9(16)5-2-6-4-14-15-8(6)7(3-5)10(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyGTMRDKCXGHWYDB-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.37
Rot. Bonds1

About methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate

methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate (PubChem CID 67491553) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate
PubChem CID67491553
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Namemethyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C10H7F3N2O2/c1-17-9(16)5-2-6-4-14-15-8(6)7(3-5)10(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyGTMRDKCXGHWYDB-UHFFFAOYSA-N
XLogP2.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate?
The IUPAC name of methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate (CID 67491553) is methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate.
What is the SMILES notation for methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate?
The canonical SMILES for methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate is COC(=O)c1cc(C(F)(F)F)c2[nH]ncc2c1.
What is the InChIKey of methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate?
The InChIKey is GTMRDKCXGHWYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-9(16)5-2-6-4-14-15-8(6)7(3-5)10(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate?
methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate has a molecular weight of 244.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate is sourced from PubChem (CID 67491553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).