6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde

C8H5ClN2O2 — CID 135890243

IUPAC6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(Cl)cc(O)c12
InChIInChI=1S/C8H5ClN2O2/c9-4-1-5-8(7(13)2-4)6(3-12)11-10-5/h1-3,13H,(H,10,11)
InChIKeyPAIKFOHOGBQFPS-UHFFFAOYSA-N
MW196.59 g/mol
LogP1.73
Rot. Bonds1

About 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde

6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde (PubChem CID 135890243) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde
PubChem CID135890243
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(Cl)cc(O)c12
InChIInChI=1S/C8H5ClN2O2/c9-4-1-5-8(7(13)2-4)6(3-12)11-10-5/h1-3,13H,(H,10,11)
InChIKeyPAIKFOHOGBQFPS-UHFFFAOYSA-N
XLogP1.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde?
The IUPAC name of 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde (CID 135890243) is 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde?
The canonical SMILES for 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2cc(Cl)cc(O)c12.
What is the InChIKey of 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde?
The InChIKey is PAIKFOHOGBQFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-4-1-5-8(7(13)2-4)6(3-12)11-10-5/h1-3,13H,(H,10,11).
What are the key properties of 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde?
6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde has a molecular weight of 196.59 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 135890243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).