4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol

C19H12Cl2N2O3 — CID 135508451

IUPAC4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C19H12Cl2N2O3/c20-10-1-6-15(21)17(7-10)23-16-8-11(24)2-4-13(16)19(22-23)14-5-3-12(25)9-18(14)26/h1-9,24-26H
InChIKeyIBLLLKQXGNGZHT-UHFFFAOYSA-N
MW387.22 g/mol
LogP5.12
Rot. Bonds2

About 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol

4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol (PubChem CID 135508451) has the molecular formula C19H12Cl2N2O3 and a molecular weight of 387.22 g/mol. Its IUPAC name is 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
PubChem CID135508451
Molecular FormulaC19H12Cl2N2O3
Molecular Weight387.22 g/mol
Exact Mass386.02
IUPAC Name4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C19H12Cl2N2O3/c20-10-1-6-15(21)17(7-10)23-16-8-11(24)2-4-13(16)19(22-23)14-5-3-12(25)9-18(14)26/h1-9,24-26H
InChIKeyIBLLLKQXGNGZHT-UHFFFAOYSA-N
XLogP5.12
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.22
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol (CID 135508451) is 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol is Oc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c3cc(O)ccc23)c(O)c1.
What is the InChIKey of 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
The InChIKey is IBLLLKQXGNGZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O3/c20-10-1-6-15(21)17(7-10)23-16-8-11(24)2-4-13(16)19(22-23)14-5-3-12(25)9-18(14)26/h1-9,24-26H.
What are the key properties of 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol has a molecular weight of 387.22 g/mol, XLogP of 5.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dichlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 135508451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).