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

C19H13ClN2O3 — CID 135500018

IUPAC4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nn(-c3cccc(Cl)c3)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C19H13ClN2O3/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
InChIKeyCJPNXLZTRUTXTI-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.46
Rot. Bonds2

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

4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol (PubChem CID 135500018) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
PubChem CID135500018
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nn(-c3cccc(Cl)c3)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C19H13ClN2O3/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
InChIKeyCJPNXLZTRUTXTI-UHFFFAOYSA-N
XLogP4.46
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol (CID 135500018) is 4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol is Oc1ccc(-c2nn(-c3cccc(Cl)c3)c3cc(O)ccc23)c(O)c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
The InChIKey is CJPNXLZTRUTXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/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-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol?
4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol has a molecular weight of 352.78 g/mol, XLogP of 4.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 135500018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).