CJPNXLZTRUTXTI-UHFFFAOYSA-N

Name: CJPNXLZTRUTXTI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₃ClN₂O₃ — CID 135500018

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CJPNXLZTRUTXTI-UHFFFAOYSA-N

CJPNXLZTRUTXTI-UHFFFAOYSA-N (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 Name	CJPNXLZTRUTXTI-UHFFFAOYSA-N
PubChem CID	135500018
Molecular Formula	C₁₉H₁₃ClN₂O₃
Molecular Weight	352.78 g/mol
Exact Mass	352.06
IUPAC Name	4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol
SMILES	Oc1ccc(-c2nn(-c3cccc(Cl)c3)c3cc(O)ccc23)c(O)c1
InChI	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
InChIKey	CJPNXLZTRUTXTI-UHFFFAOYSA-N
XLogP	4.46
TPSA	78.51 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.78
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of CJPNXLZTRUTXTI-UHFFFAOYSA-N?

The IUPAC name of CJPNXLZTRUTXTI-UHFFFAOYSA-N (CID 135500018) is 4-[1-(3-chlorophenyl)-6-hydroxyindazol-3-yl]benzene-1,3-diol.

What is the SMILES notation for CJPNXLZTRUTXTI-UHFFFAOYSA-N?

The canonical SMILES for CJPNXLZTRUTXTI-UHFFFAOYSA-N is Oc1ccc(-c2nn(-c3cccc(Cl)c3)c3cc(O)ccc23)c(O)c1.

What is the InChIKey of CJPNXLZTRUTXTI-UHFFFAOYSA-N?

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 CJPNXLZTRUTXTI-UHFFFAOYSA-N?

CJPNXLZTRUTXTI-UHFFFAOYSA-N 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 CJPNXLZTRUTXTI-UHFFFAOYSA-N is sourced from PubChem (CID 135500018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 135500018 — identifiers, structure, computed properties (public domain)

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