methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

C15H9BrF3N3O2 — CID 118663747

IUPACmethyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2nn(-c3cccc(C(F)(F)F)n3)cc12
InChIInChI=1S/C15H9BrF3N3O2/c1-24-14(23)9-5-8(16)6-11-10(9)7-22(21-11)13-4-2-3-12(20-13)15(17,18)19/h2-7H,1H3
InChIKeyXVOKHOIUTWPYFE-UHFFFAOYSA-N
MW400.15 g/mol
LogP3.99
Rot. Bonds2

About methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (PubChem CID 118663747) has the molecular formula C15H9BrF3N3O2 and a molecular weight of 400.15 g/mol. Its IUPAC name is methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
PubChem CID118663747
Molecular FormulaC15H9BrF3N3O2
Molecular Weight400.15 g/mol
Exact Mass398.98
IUPAC Namemethyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2nn(-c3cccc(C(F)(F)F)n3)cc12
InChIInChI=1S/C15H9BrF3N3O2/c1-24-14(23)9-5-8(16)6-11-10(9)7-22(21-11)13-4-2-3-12(20-13)15(17,18)19/h2-7H,1H3
InChIKeyXVOKHOIUTWPYFE-UHFFFAOYSA-N
XLogP3.99
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The IUPAC name of methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (CID 118663747) is methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.
What is the SMILES notation for methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The canonical SMILES for methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is COC(=O)c1cc(Br)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.
What is the InChIKey of methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The InChIKey is XVOKHOIUTWPYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3O2/c1-24-14(23)9-5-8(16)6-11-10(9)7-22(21-11)13-4-2-3-12(20-13)15(17,18)19/h2-7H,1H3.
What are the key properties of methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate has a molecular weight of 400.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is sourced from PubChem (CID 118663747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).