1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol

C19H11ClF2N2O2 — CID 171048601

IUPAC1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol
SMILESOc1cc(-c2ccc(-n3ncc4cc(F)c(O)c(F)c43)cc2)ccc1Cl
InChIInChI=1S/C19H11ClF2N2O2/c20-14-6-3-11(8-16(14)25)10-1-4-13(5-2-10)24-18-12(9-23-24)7-15(21)19(26)17(18)22/h1-9,25-26H
InChIKeyJJYXPDOXECGZQS-UHFFFAOYSA-N
MW372.76 g/mol
LogP5.04
Rot. Bonds2

About 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol

1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol (PubChem CID 171048601) has the molecular formula C19H11ClF2N2O2 and a molecular weight of 372.76 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol.

Molecular Properties

Compound Name1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol
PubChem CID171048601
Molecular FormulaC19H11ClF2N2O2
Molecular Weight372.76 g/mol
Exact Mass372.05
IUPAC Name1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol
SMILESOc1cc(-c2ccc(-n3ncc4cc(F)c(O)c(F)c43)cc2)ccc1Cl
InChIInChI=1S/C19H11ClF2N2O2/c20-14-6-3-11(8-16(14)25)10-1-4-13(5-2-10)24-18-12(9-23-24)7-15(21)19(26)17(18)22/h1-9,25-26H
InChIKeyJJYXPDOXECGZQS-UHFFFAOYSA-N
XLogP5.04
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol
CID 163233595
5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol
CID 163233702
1-[4-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]phenyl]-5,7-difluoroindazol-6-ol
CID 163233618
5,7-difluoro-1-[4-[3-(hydroxymethyl)-3-methylazetidin-1-yl]phenyl]indazol-6-ol
CID 163233664
2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol
CID 163233753
[4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane
CID 163233630
2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 163234287
5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
CID 163233481
5-fluoro-1-[4-(2-fluorophenyl)phenyl]indazol-6-ol
CID 163233211
[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol
CID 121416465
2-chloro-5-(2-fluorophenyl)phenol
CID 46314345
5-chloro-1-phenylpyrazol-4-ol
CID 117232897

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol?
The IUPAC name of 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol (CID 171048601) is 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol.
What is the SMILES notation for 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol?
The canonical SMILES for 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol is Oc1cc(-c2ccc(-n3ncc4cc(F)c(O)c(F)c43)cc2)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol?
The InChIKey is JJYXPDOXECGZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N2O2/c20-14-6-3-11(8-16(14)25)10-1-4-13(5-2-10)24-18-12(9-23-24)7-15(21)19(26)17(18)22/h1-9,25-26H.
What are the key properties of 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol?
1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol has a molecular weight of 372.76 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol is sourced from PubChem (CID 171048601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).