2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol

C20H12ClF3N2O2 — CID 170685629

IUPAC2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H12ClF3N2O2/c21-17-6-12(2-4-19(17)28)11-1-3-18-13(5-11)10-25-26(18)15-7-14(20(22,23)24)8-16(27)9-15/h1-10,27-28H
InChIKeyWJBNJVUSIZREJZ-UHFFFAOYSA-N
MW404.78 g/mol
LogP5.78
Rot. Bonds2

About 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol

2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol (PubChem CID 170685629) has the molecular formula C20H12ClF3N2O2 and a molecular weight of 404.78 g/mol. Its IUPAC name is 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol
PubChem CID170685629
Molecular FormulaC20H12ClF3N2O2
Molecular Weight404.78 g/mol
Exact Mass404.05
IUPAC Name2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H12ClF3N2O2/c21-17-6-12(2-4-19(17)28)11-1-3-18-13(5-11)10-25-26(18)15-7-14(20(22,23)24)8-16(27)9-15/h1-10,27-28H
InChIKeyWJBNJVUSIZREJZ-UHFFFAOYSA-N
XLogP5.78
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]pyridin-3-ol
CID 163234260
2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol
CID 163233753
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid
CID 15278616
2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 163234287
1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid;3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid
CID 174185433
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221517
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate
CID 154461404
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole
CID 163234142
3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile
CID 163234220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol?
The IUPAC name of 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol (CID 170685629) is 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol is Oc1cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol?
The InChIKey is WJBNJVUSIZREJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N2O2/c21-17-6-12(2-4-19(17)28)11-1-3-18-13(5-11)10-25-26(18)15-7-14(20(22,23)24)8-16(27)9-15/h1-10,27-28H.
What are the key properties of 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol?
2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol has a molecular weight of 404.78 g/mol, XLogP of 5.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol is sourced from PubChem (CID 170685629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).