5-chloro-3-iodo-2H-indazole-6-carboxylic acid

C8H4ClIN2O2 — CID 123135196

IUPAC5-chloro-3-iodo-2H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc2n[nH]c(I)c2cc1Cl
InChIInChI=1S/C8H4ClIN2O2/c9-5-1-4-6(11-12-7(4)10)2-3(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyOBODVSLNPOSKHD-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.52
Rot. Bonds1

About 5-chloro-3-iodo-2H-indazole-6-carboxylic acid

5-chloro-3-iodo-2H-indazole-6-carboxylic acid (PubChem CID 123135196) has the molecular formula C8H4ClIN2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 5-chloro-3-iodo-2H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-iodo-2H-indazole-6-carboxylic acid
PubChem CID123135196
Molecular FormulaC8H4ClIN2O2
Molecular Weight322.49 g/mol
Exact Mass321.90
IUPAC Name5-chloro-3-iodo-2H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc2n[nH]c(I)c2cc1Cl
InChIInChI=1S/C8H4ClIN2O2/c9-5-1-4-6(11-12-7(4)10)2-3(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyOBODVSLNPOSKHD-UHFFFAOYSA-N
XLogP2.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-2H-indazole-6-carboxylic acid?
The IUPAC name of 5-chloro-3-iodo-2H-indazole-6-carboxylic acid (CID 123135196) is 5-chloro-3-iodo-2H-indazole-6-carboxylic acid.
What is the SMILES notation for 5-chloro-3-iodo-2H-indazole-6-carboxylic acid?
The canonical SMILES for 5-chloro-3-iodo-2H-indazole-6-carboxylic acid is O=C(O)c1cc2n[nH]c(I)c2cc1Cl.
What is the InChIKey of 5-chloro-3-iodo-2H-indazole-6-carboxylic acid?
The InChIKey is OBODVSLNPOSKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIN2O2/c9-5-1-4-6(11-12-7(4)10)2-3(5)8(13)14/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 5-chloro-3-iodo-2H-indazole-6-carboxylic acid?
5-chloro-3-iodo-2H-indazole-6-carboxylic acid has a molecular weight of 322.49 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-2H-indazole-6-carboxylic acid is sourced from PubChem (CID 123135196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).