methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate

C11H8BrF3N2O2 — CID 175345200

IUPACmethyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2nn(C(F)C(F)F)cc12
InChIInChI=1S/C11H8BrF3N2O2/c1-19-11(18)6-2-5(12)3-8-7(6)4-17(16-8)10(15)9(13)14/h2-4,9-10H,1H3
InChIKeyFPQCSTCMLSWCDW-UHFFFAOYSA-N
MW337.10 g/mol
LogP3.32
Rot. Bonds3

About methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate

methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate (PubChem CID 175345200) has the molecular formula C11H8BrF3N2O2 and a molecular weight of 337.10 g/mol. Its IUPAC name is methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate
PubChem CID175345200
Molecular FormulaC11H8BrF3N2O2
Molecular Weight337.10 g/mol
Exact Mass335.97
IUPAC Namemethyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2nn(C(F)C(F)F)cc12
InChIInChI=1S/C11H8BrF3N2O2/c1-19-11(18)6-2-5(12)3-8-7(6)4-17(16-8)10(15)9(13)14/h2-4,9-10H,1H3
InChIKeyFPQCSTCMLSWCDW-UHFFFAOYSA-N
XLogP3.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-fluoro-2-methylindazole-4-carboxylate
CID 121232242
methyl 5-bromo-3-cyano-2-(difluoromethoxy)benzoate
CID 171010903
methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
CID 24728090
dimethyl 7-bromoquinoline-2,4-dicarboxylate
CID 67245888
methyl 5-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-iodobenzoate
CID 167727351
methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82555209
methyl 5-bromo-2-iodopyridine-3-carboxylate
CID 133062005
methyl 4-bromo-2-propan-2-ylindazole-7-carboxylate
CID 167501578
ethane;methyl 6-bromo-2-methyl-1H-indole-4-carboxylate
CID 145305093
methyl 2-bromo-6-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 130109076
methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
CID 168948261

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate?
The IUPAC name of methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate (CID 175345200) is methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate.
What is the SMILES notation for methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate?
The canonical SMILES for methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate is COC(=O)c1cc(Br)cc2nn(C(F)C(F)F)cc12.
What is the InChIKey of methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate?
The InChIKey is FPQCSTCMLSWCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O2/c1-19-11(18)6-2-5(12)3-8-7(6)4-17(16-8)10(15)9(13)14/h2-4,9-10H,1H3.
What are the key properties of methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate?
methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate has a molecular weight of 337.10 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate is sourced from PubChem (CID 175345200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).