5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol

C20H12F4N2O2 — CID 163233721

IUPAC5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol
SMILESOc1cccc(-c2ccc(-n3ncc4c(C(F)(F)F)c(F)c(O)cc43)cc2)c1
InChIInChI=1S/C20H12F4N2O2/c21-19-17(28)9-16-15(18(19)20(22,23)24)10-25-26(16)13-6-4-11(5-7-13)12-2-1-3-14(27)8-12/h1-10,27-28H
InChIKeyNQPPWCHZCFEREG-UHFFFAOYSA-N
MW388.32 g/mol
LogP5.26
Rot. Bonds2

About 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol

5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol (PubChem CID 163233721) has the molecular formula C20H12F4N2O2 and a molecular weight of 388.32 g/mol. Its IUPAC name is 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol.

Molecular Properties

Compound Name5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol
PubChem CID163233721
Molecular FormulaC20H12F4N2O2
Molecular Weight388.32 g/mol
Exact Mass388.08
IUPAC Name5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol
SMILESOc1cccc(-c2ccc(-n3ncc4c(C(F)(F)F)c(F)c(O)cc43)cc2)c1
InChIInChI=1S/C20H12F4N2O2/c21-19-17(28)9-16-15(18(19)20(22,23)24)10-25-26(16)13-6-4-11(5-7-13)12-2-1-3-14(27)8-12/h1-10,27-28H
InChIKeyNQPPWCHZCFEREG-UHFFFAOYSA-N
XLogP5.26
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.32
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol?
The IUPAC name of 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol (CID 163233721) is 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol.
What is the SMILES notation for 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol?
The canonical SMILES for 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol is Oc1cccc(-c2ccc(-n3ncc4c(C(F)(F)F)c(F)c(O)cc43)cc2)c1.
What is the InChIKey of 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol?
The InChIKey is NQPPWCHZCFEREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2O2/c21-19-17(28)9-16-15(18(19)20(22,23)24)10-25-26(16)13-6-4-11(5-7-13)12-2-1-3-14(27)8-12/h1-10,27-28H.
What are the key properties of 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol?
5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol has a molecular weight of 388.32 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-(3-hydroxyphenyl)phenyl]-4-(trifluoromethyl)indazol-6-ol is sourced from PubChem (CID 163233721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).