4-bromo-6-iodo-2H-indazole-3-carbaldehyde

C8H4BrIN2O — CID 24728491

IUPAC4-bromo-6-iodo-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(I)cc(Br)c12
InChIInChI=1S/C8H4BrIN2O/c9-5-1-4(10)2-6-8(5)7(3-13)12-11-6/h1-3H,(H,11,12)
InChIKeyGLEOVYRZXURSMV-UHFFFAOYSA-N
MW350.94 g/mol
LogP2.74
Rot. Bonds1

About 4-bromo-6-iodo-2H-indazole-3-carbaldehyde

4-bromo-6-iodo-2H-indazole-3-carbaldehyde (PubChem CID 24728491) has the molecular formula C8H4BrIN2O and a molecular weight of 350.94 g/mol. Its IUPAC name is 4-bromo-6-iodo-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-6-iodo-2H-indazole-3-carbaldehyde
PubChem CID24728491
Molecular FormulaC8H4BrIN2O
Molecular Weight350.94 g/mol
Exact Mass349.86
IUPAC Name4-bromo-6-iodo-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(I)cc(Br)c12
InChIInChI=1S/C8H4BrIN2O/c9-5-1-4(10)2-6-8(5)7(3-13)12-11-6/h1-3H,(H,11,12)
InChIKeyGLEOVYRZXURSMV-UHFFFAOYSA-N
XLogP2.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.94
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-iodo-2H-indazole-3-carbaldehyde?
The IUPAC name of 4-bromo-6-iodo-2H-indazole-3-carbaldehyde (CID 24728491) is 4-bromo-6-iodo-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 4-bromo-6-iodo-2H-indazole-3-carbaldehyde?
The canonical SMILES for 4-bromo-6-iodo-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2cc(I)cc(Br)c12.
What is the InChIKey of 4-bromo-6-iodo-2H-indazole-3-carbaldehyde?
The InChIKey is GLEOVYRZXURSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrIN2O/c9-5-1-4(10)2-6-8(5)7(3-13)12-11-6/h1-3H,(H,11,12).
What are the key properties of 4-bromo-6-iodo-2H-indazole-3-carbaldehyde?
4-bromo-6-iodo-2H-indazole-3-carbaldehyde has a molecular weight of 350.94 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-iodo-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 24728491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).