3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one

C15H8ClF3INO3 — CID 11145115

IUPAC3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(Cl)cc(I)c1O
InChIInChI=1S/C15H8ClF3INO3/c16-7-4-9(12(22)10(20)5-7)14(24)8-2-1-6(15(17,18)19)3-11(8)21-13(14)23/h1-5,22,24H,(H,21,23)
InChIKeyRRBKEGBAXMLERP-UHFFFAOYSA-N
MW469.58 g/mol
LogP3.86
Rot. Bonds1

About 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one

3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 11145115) has the molecular formula C15H8ClF3INO3 and a molecular weight of 469.58 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID11145115
Molecular FormulaC15H8ClF3INO3
Molecular Weight469.58 g/mol
Exact Mass468.92
IUPAC Name3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(Cl)cc(I)c1O
InChIInChI=1S/C15H8ClF3INO3/c16-7-4-9(12(22)10(20)5-7)14(24)8-2-1-6(15(17,18)19)3-11(8)21-13(14)23/h1-5,22,24H,(H,21,23)
InChIKeyRRBKEGBAXMLERP-UHFFFAOYSA-N
XLogP3.86
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (CID 11145115) is 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(Cl)cc(I)c1O.
What is the InChIKey of 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is RRBKEGBAXMLERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3INO3/c16-7-4-9(12(22)10(20)5-7)14(24)8-2-1-6(15(17,18)19)3-11(8)21-13(14)23/h1-5,22,24H,(H,21,23).
What are the key properties of 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 469.58 g/mol, XLogP of 3.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 11145115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).