2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C15H9ClF3N3O — CID 158850062

IUPAC2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc2cn[nH]c2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H9ClF3N3O/c16-10-6-12-9(7-20-22-12)4-8(10)5-13(23)11-2-1-3-14(21-11)15(17,18)19/h1-4,6-7H,5H2,(H,20,22)
InChIKeyIZIIXISVHCWVNG-UHFFFAOYSA-N
MW339.70 g/mol
LogP4.06
Rot. Bonds3

About 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 158850062) has the molecular formula C15H9ClF3N3O and a molecular weight of 339.70 g/mol. Its IUPAC name is 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID158850062
Molecular FormulaC15H9ClF3N3O
Molecular Weight339.70 g/mol
Exact Mass339.04
IUPAC Name2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc2cn[nH]c2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H9ClF3N3O/c16-10-6-12-9(7-20-22-12)4-8(10)5-13(23)11-2-1-3-14(21-11)15(17,18)19/h1-4,6-7H,5H2,(H,20,22)
InChIKeyIZIIXISVHCWVNG-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 158850062) is 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cc2cn[nH]c2cc1Cl)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is IZIIXISVHCWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O/c16-10-6-12-9(7-20-22-12)4-8(10)5-13(23)11-2-1-3-14(21-11)15(17,18)19/h1-4,6-7H,5H2,(H,20,22).
What are the key properties of 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 339.70 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 158850062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).