4-bromo-3-iodo-2H-indazole-6-carboxylic acid

C8H4BrIN2O2 — CID 24728405

IUPAC4-bromo-3-iodo-2H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc(Br)c2c(I)[nH]nc2c1
InChIInChI=1S/C8H4BrIN2O2/c9-4-1-3(8(13)14)2-5-6(4)7(10)12-11-5/h1-2H,(H,11,12)(H,13,14)
InChIKeyHKOYFXWLVUSWRR-UHFFFAOYSA-N
MW366.94 g/mol
LogP2.63
Rot. Bonds1

About 4-bromo-3-iodo-2H-indazole-6-carboxylic acid

4-bromo-3-iodo-2H-indazole-6-carboxylic acid (PubChem CID 24728405) has the molecular formula C8H4BrIN2O2 and a molecular weight of 366.94 g/mol. Its IUPAC name is 4-bromo-3-iodo-2H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-iodo-2H-indazole-6-carboxylic acid
PubChem CID24728405
Molecular FormulaC8H4BrIN2O2
Molecular Weight366.94 g/mol
Exact Mass365.85
IUPAC Name4-bromo-3-iodo-2H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc(Br)c2c(I)[nH]nc2c1
InChIInChI=1S/C8H4BrIN2O2/c9-4-1-3(8(13)14)2-5-6(4)7(10)12-11-5/h1-2H,(H,11,12)(H,13,14)
InChIKeyHKOYFXWLVUSWRR-UHFFFAOYSA-N
XLogP2.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.94
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dibromo-2H-indazole-6-carboxylic acid
CID 24728404
4-chloro-3-methyl-2H-indazole-6-carboxylic acid
CID 117109537
7-bromo-2-methyl-1,3-benzoxazole-5-carboxylic acid
CID 83901167
4-amino-3-bromo-5-iodobenzoic acid
CID 57367891
4-bromo-6-iodo-2H-indazole-3-carbaldehyde
CID 24728491
7-bromo-1-methylbenzimidazole-5-carboxylic acid
CID 75487801
5-chloro-3-iodo-2H-indazole-6-carboxylic acid
CID 123135196
3-borono-5-bromo-4-fluorobenzoic acid
CID 44558169
3,4-dibromo-5-chlorobenzoic acid
CID 81429193
3,5-dibromo-4-(methylamino)benzoic acid
CID 170560173
3-methyl-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 84717839
8-bromo-2-oxo-1H-quinoline-6-carboxylic acid
CID 82213223

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodo-2H-indazole-6-carboxylic acid?
The IUPAC name of 4-bromo-3-iodo-2H-indazole-6-carboxylic acid (CID 24728405) is 4-bromo-3-iodo-2H-indazole-6-carboxylic acid.
What is the SMILES notation for 4-bromo-3-iodo-2H-indazole-6-carboxylic acid?
The canonical SMILES for 4-bromo-3-iodo-2H-indazole-6-carboxylic acid is O=C(O)c1cc(Br)c2c(I)[nH]nc2c1.
What is the InChIKey of 4-bromo-3-iodo-2H-indazole-6-carboxylic acid?
The InChIKey is HKOYFXWLVUSWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrIN2O2/c9-4-1-3(8(13)14)2-5-6(4)7(10)12-11-5/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 4-bromo-3-iodo-2H-indazole-6-carboxylic acid?
4-bromo-3-iodo-2H-indazole-6-carboxylic acid has a molecular weight of 366.94 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-iodo-2H-indazole-6-carboxylic acid is sourced from PubChem (CID 24728405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).