methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate

C11H8BrF3N2O2 — CID 156889989

IUPACmethyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2nn(CC(F)(F)F)cc12
InChIInChI=1S/C11H8BrF3N2O2/c1-19-10(18)7-2-6(12)3-9-8(7)4-17(16-9)5-11(13,14)15/h2-4H,5H2,1H3
InChIKeyYODCZPVPVZQJFM-UHFFFAOYSA-N
MW337.10 g/mol
LogP3.15
Rot. Bonds2

About methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate

methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate (PubChem CID 156889989) has the molecular formula C11H8BrF3N2O2 and a molecular weight of 337.10 g/mol. Its IUPAC name is methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate
PubChem CID156889989
Molecular FormulaC11H8BrF3N2O2
Molecular Weight337.10 g/mol
Exact Mass335.97
IUPAC Namemethyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2nn(CC(F)(F)F)cc12
InChIInChI=1S/C11H8BrF3N2O2/c1-19-10(18)7-2-6(12)3-9-8(7)4-17(16-9)5-11(13,14)15/h2-4H,5H2,1H3
InChIKeyYODCZPVPVZQJFM-UHFFFAOYSA-N
XLogP3.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate?
The IUPAC name of methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate (CID 156889989) is methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate.
What is the SMILES notation for methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate?
The canonical SMILES for methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate is COC(=O)c1cc(Br)cc2nn(CC(F)(F)F)cc12.
What is the InChIKey of methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate?
The InChIKey is YODCZPVPVZQJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O2/c1-19-10(18)7-2-6(12)3-9-8(7)4-17(16-9)5-11(13,14)15/h2-4H,5H2,1H3.
What are the key properties of methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate?
methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate has a molecular weight of 337.10 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2-(2,2,2-trifluoroethyl)indazole-4-carboxylate is sourced from PubChem (CID 156889989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).