5-iodo-2H-indazole-3-carbaldehyde

C8H5IN2O — CID 23134546

IUPAC5-iodo-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2ccc(I)cc12
InChIInChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)
InChIKeyNOSDSVDHJGTJLY-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.98
Rot. Bonds1

About 5-iodo-2H-indazole-3-carbaldehyde

5-iodo-2H-indazole-3-carbaldehyde (PubChem CID 23134546) has the molecular formula C8H5IN2O and a molecular weight of 272.05 g/mol. Its IUPAC name is 5-iodo-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-iodo-2H-indazole-3-carbaldehyde
PubChem CID23134546
Molecular FormulaC8H5IN2O
Molecular Weight272.05 g/mol
Exact Mass271.94
IUPAC Name5-iodo-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2ccc(I)cc12
InChIInChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)
InChIKeyNOSDSVDHJGTJLY-UHFFFAOYSA-N
XLogP1.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.98
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 5-iodo-2H-indazole-3-carbaldehyde?
The IUPAC name of 5-iodo-2H-indazole-3-carbaldehyde (CID 23134546) is 5-iodo-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 5-iodo-2H-indazole-3-carbaldehyde?
The canonical SMILES for 5-iodo-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2ccc(I)cc12.
What is the InChIKey of 5-iodo-2H-indazole-3-carbaldehyde?
The InChIKey is NOSDSVDHJGTJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11).
What are the key properties of 5-iodo-2H-indazole-3-carbaldehyde?
5-iodo-2H-indazole-3-carbaldehyde has a molecular weight of 272.05 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 23134546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).