4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol

C15H11F3N2O3 — CID 135511929

IUPAC4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nn(CC(F)(F)F)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)7-20-12-5-8(21)1-3-10(12)14(19-20)11-4-2-9(22)6-13(11)23/h1-6,21-23H,7H2
InChIKeyYUMVZGGRPJTXIJ-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.38
Rot. Bonds2

About 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol

4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol (PubChem CID 135511929) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol
PubChem CID135511929
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nn(CC(F)(F)F)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)7-20-12-5-8(21)1-3-10(12)14(19-20)11-4-2-9(22)6-13(11)23/h1-6,21-23H,7H2
InChIKeyYUMVZGGRPJTXIJ-UHFFFAOYSA-N
XLogP3.38
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol (CID 135511929) is 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol is Oc1ccc(-c2nn(CC(F)(F)F)c3cc(O)ccc23)c(O)c1.
What is the InChIKey of 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol?
The InChIKey is YUMVZGGRPJTXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)7-20-12-5-8(21)1-3-10(12)14(19-20)11-4-2-9(22)6-13(11)23/h1-6,21-23H,7H2.
What are the key properties of 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol?
4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol has a molecular weight of 324.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-hydroxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 135511929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).