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

C8H5FN2O2 — CID 135890233

IUPAC4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(O)cc(F)c12
InChIInChI=1S/C8H5FN2O2/c9-5-1-4(13)2-6-8(5)7(3-12)11-10-6/h1-3,13H,(H,10,11)
InChIKeyGQDFITUYJDYJJV-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.22
Rot. Bonds1

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

4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde (PubChem CID 135890233) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde
PubChem CID135890233
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(O)cc(F)c12
InChIInChI=1S/C8H5FN2O2/c9-5-1-4(13)2-6-8(5)7(3-12)11-10-6/h1-3,13H,(H,10,11)
InChIKeyGQDFITUYJDYJJV-UHFFFAOYSA-N
XLogP1.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.22
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 4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde?
The IUPAC name of 4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde (CID 135890233) is 4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde?
The canonical SMILES for 4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2cc(O)cc(F)c12.
What is the InChIKey of 4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde?
The InChIKey is GQDFITUYJDYJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-5-1-4(13)2-6-8(5)7(3-12)11-10-6/h1-3,13H,(H,10,11).
What are the key properties of 4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde?
4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde has a molecular weight of 180.14 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-hydroxy-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 135890233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).