[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone

C21H10ClF5N2O2 — CID 141356037

IUPAC[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cc(O)cc(F)c2)c2c(F)cccc21
InChIInChI=1S/C21H10ClF5N2O2/c22-14-4-1-3-13(21(25,26)27)17(14)20(31)29-16-6-2-5-15(24)18(16)19(28-29)10-7-11(23)9-12(30)8-10/h1-9,30H
InChIKeyMSFDRALFNYGZBC-UHFFFAOYSA-N
MW452.77 g/mol
LogP6.05
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone

[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone (PubChem CID 141356037) has the molecular formula C21H10ClF5N2O2 and a molecular weight of 452.77 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone
PubChem CID141356037
Molecular FormulaC21H10ClF5N2O2
Molecular Weight452.77 g/mol
Exact Mass452.04
IUPAC Name[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cc(O)cc(F)c2)c2c(F)cccc21
InChIInChI=1S/C21H10ClF5N2O2/c22-14-4-1-3-13(21(25,26)27)17(14)20(31)29-16-6-2-5-15(24)18(16)19(28-29)10-7-11(23)9-12(30)8-10/h1-9,30H
InChIKeyMSFDRALFNYGZBC-UHFFFAOYSA-N
XLogP6.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.77
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]-3-fluorobenzoic acid
CID 88920218
[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone
CID 141356032
(1S)-4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]-2,2-dimethylcyclohex-3-ene-1-carboxylic acid
CID 90041885
1-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]pyrrolidine-3-carboxylic acid
CID 73293787
[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone
CID 141356028
2-[1-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]piperidin-4-yl]acetic acid
CID 73293972
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridin-3-yl]-2,5-difluorobenzoic acid
CID 88920221
2-chloro-4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridin-3-yl]-5-fluorobenzoic acid
CID 88920186
[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane
CID 144574802
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-5-(dimethylcarbamoyl)thieno[3,2-c]pyrazol-3-yl]-3-fluorobenzoic acid
CID 90466144
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-d]pyrimidin-3-yl]-3-fluorobenzoic acid
CID 155538306
4-[4-chloro-1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]-1-methylcyclohex-3-ene-1-carboxylic acid
CID 73387702

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone (CID 141356037) is [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone is O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cc(O)cc(F)c2)c2c(F)cccc21.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone?
The InChIKey is MSFDRALFNYGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10ClF5N2O2/c22-14-4-1-3-13(21(25,26)27)17(14)20(31)29-16-6-2-5-15(24)18(16)19(28-29)10-7-11(23)9-12(30)8-10/h1-9,30H.
What are the key properties of [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone?
[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone has a molecular weight of 452.77 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone is sourced from PubChem (CID 141356037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).