5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid

C22H12F6N2O3 — CID 73295546

IUPAC5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)c(-c2nn(Cc3c(F)cccc3C(F)(F)F)c3cccc(F)c23)cc1O
InChIInChI=1S/C22H12F6N2O3/c23-14-4-1-3-13(22(26,27)28)12(14)9-30-17-6-2-5-15(24)19(17)20(29-30)10-8-18(31)11(21(32)33)7-16(10)25/h1-8,31H,9H2,(H,32,33)
InChIKeyKQFHZBNTVAKLMC-UHFFFAOYSA-N
MW466.34 g/mol
LogP5.59
Rot. Bonds4

About 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid

5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid (PubChem CID 73295546) has the molecular formula C22H12F6N2O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid
PubChem CID73295546
Molecular FormulaC22H12F6N2O3
Molecular Weight466.34 g/mol
Exact Mass466.08
IUPAC Name5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)c(-c2nn(Cc3c(F)cccc3C(F)(F)F)c3cccc(F)c23)cc1O
InChIInChI=1S/C22H12F6N2O3/c23-14-4-1-3-13(22(26,27)28)12(14)9-30-17-6-2-5-15(24)19(17)20(29-30)10-8-18(31)11(21(32)33)7-16(10)25/h1-8,31H,9H2,(H,32,33)
InChIKeyKQFHZBNTVAKLMC-UHFFFAOYSA-N
XLogP5.59
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-4-fluoro-1H-indazol-3-yl)-2-hydroxybenzoic acid
CID 68278907
4-[6-(Azetidine-1-carbonyl)-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-4-fluoroindazol-3-yl]-5-fluoro-2-hydroxybenzoic acid
CID 72943688
4-[1-[[2-Chloro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid
CID 73295032
4-[1-[(2-Cyanophenyl)methyl]-4-fluoroindazol-3-yl]-3-fluorobenzoic acid
CID 73295205
4-(1-(2-bromo-6-(trifluoromethyl)benzyl)-4-fluoro-1H-indazol-3-yl)-5-fluoro-2-hydroxybenzoic acid
CID 73295209
4-[1-[(2-Chloro-6-fluorophenyl)methyl]-4-fluoroindazol-3-yl]-5-fluoro-2-hydroxybenzoic acid
CID 73295374
4-[1-[(2-Chloro-5-fluorophenyl)methyl]-4-fluoroindazol-3-yl]-5-fluoro-2-hydroxybenzoic acid
CID 73295376
4-[1-[(2-Chloro-4-fluorophenyl)methyl]-4-fluoroindazol-3-yl]-5-fluoro-2-hydroxybenzoic acid
CID 73295377
4-[1-[(2-Bromo-5-fluorophenyl)methyl]-4-fluoroindazol-3-yl]-5-fluoro-2-hydroxybenzoic acid
CID 73295378
4-[1-[(3-Chloro-5-fluorophenyl)methyl]-4-fluoroindazol-3-yl]-5-fluoro-2-hydroxybenzoic acid
CID 73295379
4-[1-[(3,5-Dichlorophenyl)methyl]-4-fluoroindazol-3-yl]-5-fluoro-2-hydroxybenzoic acid
CID 73295542
4-[1-[(2,5-Dichlorophenyl)methyl]-4-fluoroindazol-3-yl]-5-fluoro-2-hydroxybenzoic acid
CID 73295544

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid?
The IUPAC name of 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid (CID 73295546) is 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid is O=C(O)c1cc(F)c(-c2nn(Cc3c(F)cccc3C(F)(F)F)c3cccc(F)c23)cc1O.
What is the InChIKey of 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid?
The InChIKey is KQFHZBNTVAKLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6N2O3/c23-14-4-1-3-13(22(26,27)28)12(14)9-30-17-6-2-5-15(24)19(17)20(29-30)10-8-18(31)11(21(32)33)7-16(10)25/h1-8,31H,9H2,(H,32,33).
What are the key properties of 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid?
5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid has a molecular weight of 466.34 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-fluoro-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 73295546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).