5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one

C10H7ClF3NO2 — CID 102474299

IUPAC5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)C(O)(C(F)(F)F)c2cc(Cl)ccc21
InChIInChI=1S/C10H7ClF3NO2/c1-15-7-3-2-5(11)4-6(7)9(17,8(15)16)10(12,13)14/h2-4,17H,1H3
InChIKeyLIUNOSASABVXJB-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.07
Rot. Bonds

About 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one

5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one (PubChem CID 102474299) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
PubChem CID102474299
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Name5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)C(O)(C(F)(F)F)c2cc(Cl)ccc21
InChIInChI=1S/C10H7ClF3NO2/c1-15-7-3-2-5(11)4-6(7)9(17,8(15)16)10(12,13)14/h2-4,17H,1H3
InChIKeyLIUNOSASABVXJB-UHFFFAOYSA-N
XLogP2.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
(3R)-5-chloro-3-hydroxy-1-methyl-3-prop-2-enylindol-2-one
CID 102579900
(3R)-3-[(2S)-but-3-en-2-yl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 134965310
(3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one
CID 125494618
methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate
CID 53371867
3-(4-chloro-2-hydroxyphenyl)-3-hydroxy-1-methyl-6-(trifluoromethyl)indol-2-one
CID 102119601
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 1259023
tert-butyl N-(5-chloro-3-cyano-1-methyl-2-oxoindol-3-yl)carbamate
CID 102430954
(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 888881
5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one
CID 155813012
6-chloro-4-(2-cyclopropylethynyl)-1-methyl-4-(trifluoromethyl)-3H-quinolin-2-one
CID 59947991
(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 7282002

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one (CID 102474299) is 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one is CN1C(=O)C(O)(C(F)(F)F)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The InChIKey is LIUNOSASABVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO2/c1-15-7-3-2-5(11)4-6(7)9(17,8(15)16)10(12,13)14/h2-4,17H,1H3.
What are the key properties of 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one has a molecular weight of 265.62 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 102474299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).