4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol

C19H13FN2O3 — CID 135492495

IUPAC4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nn(-c3cccc(F)c3)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C19H13FN2O3/c20-11-2-1-3-12(8-11)22-17-9-13(23)4-6-15(17)19(21-22)16-7-5-14(24)10-18(16)25/h1-10,23-25H
InChIKeyOFIVJOJVGANQBF-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.95
Rot. Bonds2

About 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol

4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol (PubChem CID 135492495) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
PubChem CID135492495
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nn(-c3cccc(F)c3)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C19H13FN2O3/c20-11-2-1-3-12(8-11)22-17-9-13(23)4-6-15(17)19(21-22)16-7-5-14(24)10-18(16)25/h1-10,23-25H
InChIKeyOFIVJOJVGANQBF-UHFFFAOYSA-N
XLogP3.95
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Way-169916
CID 135461982
4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135566322
4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135438183
4-(1-cyclohexyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135499972
4-[1-(3-chlorophenyl)-6-hydroxy-1H-indazol-3-yl]benzene-1,3-diol
CID 135500018
4-(1-(2,5-Dichlorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135508451
4-(6-hydroxy-1-propyl-1H-indazol-3-yl)benzene-1,3-diol
CID 135511863
4-(6-Hydroxy-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511929
4-(6-Hydroxy-1-(p-tolyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511945
4-(1-butyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135524510
4-(1-(2,5-Difluorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135540483
4-(1-methyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135454762

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol (CID 135492495) is 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol is Oc1ccc(-c2nn(-c3cccc(F)c3)c3cc(O)ccc23)c(O)c1.
What is the InChIKey of 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
The InChIKey is OFIVJOJVGANQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3/c20-11-2-1-3-12(8-11)22-17-9-13(23)4-6-15(17)19(21-22)16-7-5-14(24)10-18(16)25/h1-10,23-25H.
What are the key properties of 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol has a molecular weight of 336.32 g/mol, XLogP of 3.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 135492495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).