2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol

C19H12ClFN2O2 — CID 163233899

IUPAC2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol
SMILESOc1cc(F)cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)ccc32)c1
InChIInChI=1S/C19H12ClFN2O2/c20-17-6-12(2-4-19(17)25)11-1-3-18-13(5-11)10-22-23(18)15-7-14(21)8-16(24)9-15/h1-10,24-25H
InChIKeyAJDYEQWBMURFAG-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.90
Rot. Bonds2

About 2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol

2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol (PubChem CID 163233899) has the molecular formula C19H12ClFN2O2 and a molecular weight of 354.77 g/mol. Its IUPAC name is 2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol
PubChem CID163233899
Molecular FormulaC19H12ClFN2O2
Molecular Weight354.77 g/mol
Exact Mass354.06
IUPAC Name2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol
SMILESOc1cc(F)cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)ccc32)c1
InChIInChI=1S/C19H12ClFN2O2/c20-17-6-12(2-4-19(17)25)11-1-3-18-13(5-11)10-22-23(18)15-7-14(21)8-16(24)9-15/h1-10,24-25H
InChIKeyAJDYEQWBMURFAG-UHFFFAOYSA-N
XLogP4.90
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chloro-4-fluorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-YL)ethanol (enantiomeric mix)
CID 46888441
1-(3-chlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888439
4-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831087
3-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831397
1-(2-chlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888466
1H-Indazol-4-ol, 1-phenyl-5-(phenylmethyl)-
CID 135705548
2-Chloro-4-(1-(2-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233808
2-Fluoro-5-(5-(4-methoxyphenyl)-1H-indazol-1-yl)phenol
CID 163233868
5-(6-Cloro-5-(2-chloro-4-hydroxyphenyl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233880
2-Fluoro-5-(5-(4-hydroxyphenyl)-1H-indazol-1-yl)phenol
CID 163233888
3-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)benzamide
CID 163233891
2-Fluoro-5-(5-(o-tolyl)-1H-indazol-1-yl)phenol
CID 163233905

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol?
The IUPAC name of 2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol (CID 163233899) is 2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol is Oc1cc(F)cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)ccc32)c1.
What is the InChIKey of 2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol?
The InChIKey is AJDYEQWBMURFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2/c20-17-6-12(2-4-19(17)25)11-1-3-18-13(5-11)10-22-23(18)15-7-14(21)8-16(24)9-15/h1-10,24-25H.
What are the key properties of 2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol?
2-chloro-4-[1-(3-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol has a molecular weight of 354.77 g/mol, XLogP of 4.90, 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-fluoro-5-hydroxyphenyl)indazol-5-yl]phenol is sourced from PubChem (CID 163233899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).