5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol

C20H12ClF3N2O2 — CID 163233946

IUPAC5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(OC(F)F)cc4Cl)ccc32)ccc1F
InChIInChI=1S/C20H12ClF3N2O2/c21-16-9-14(28-20(23)24)3-4-15(16)11-1-6-18-12(7-11)10-25-26(18)13-2-5-17(22)19(27)8-13/h1-10,20,27H
InChIKeyJIOIOOMWCISYOI-UHFFFAOYSA-N
MW404.78 g/mol
LogP5.79
Rot. Bonds4

About 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol

5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol (PubChem CID 163233946) has the molecular formula C20H12ClF3N2O2 and a molecular weight of 404.78 g/mol. Its IUPAC name is 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol
PubChem CID163233946
Molecular FormulaC20H12ClF3N2O2
Molecular Weight404.78 g/mol
Exact Mass404.05
IUPAC Name5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(OC(F)F)cc4Cl)ccc32)ccc1F
InChIInChI=1S/C20H12ClF3N2O2/c21-16-9-14(28-20(23)24)3-4-15(16)11-1-6-18-12(7-11)10-25-26(18)13-2-5-17(22)19(27)8-13/h1-10,20,27H
InChIKeyJIOIOOMWCISYOI-UHFFFAOYSA-N
XLogP5.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888466
2-Chloro-4-(1-(2-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233808
2-(4-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenoxy)acetic acid
CID 163233866
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
2-Chloro-4-(1-(3-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233899
5-(5-(3-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233963
5-(5-(2-Chloro-4-morpholinophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233972
N-(3-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)acetamide
CID 163233992
5-(5-(4-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233999
5-(5-(4-Amino-2-chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234013

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol?
The IUPAC name of 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol (CID 163233946) is 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol.
What is the SMILES notation for 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol?
The canonical SMILES for 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol is Oc1cc(-n2ncc3cc(-c4ccc(OC(F)F)cc4Cl)ccc32)ccc1F.
What is the InChIKey of 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol?
The InChIKey is JIOIOOMWCISYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N2O2/c21-16-9-14(28-20(23)24)3-4-15(16)11-1-6-18-12(7-11)10-25-26(18)13-2-5-17(22)19(27)8-13/h1-10,20,27H.
What are the key properties of 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol?
5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol has a molecular weight of 404.78 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-chloro-4-(difluoromethoxy)phenyl]indazol-1-yl]-2-fluorophenol is sourced from PubChem (CID 163233946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).