3,4-dibromo-2H-indazole-6-carboxylic acid

C8H4Br2N2O2 — CID 24728404

IUPAC3,4-dibromo-2H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc(Br)c2c(Br)[nH]nc2c1
InChIInChI=1S/C8H4Br2N2O2/c9-4-1-3(8(13)14)2-5-6(4)7(10)12-11-5/h1-2H,(H,11,12)(H,13,14)
InChIKeyKXYVNSZNNNVOPT-UHFFFAOYSA-N
MW319.94 g/mol
LogP2.79
Rot. Bonds1

About 3,4-dibromo-2H-indazole-6-carboxylic acid

3,4-dibromo-2H-indazole-6-carboxylic acid (PubChem CID 24728404) has the molecular formula C8H4Br2N2O2 and a molecular weight of 319.94 g/mol. Its IUPAC name is 3,4-dibromo-2H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3,4-dibromo-2H-indazole-6-carboxylic acid
PubChem CID24728404
Molecular FormulaC8H4Br2N2O2
Molecular Weight319.94 g/mol
Exact Mass317.86
IUPAC Name3,4-dibromo-2H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc(Br)c2c(Br)[nH]nc2c1
InChIInChI=1S/C8H4Br2N2O2/c9-4-1-3(8(13)14)2-5-6(4)7(10)12-11-5/h1-2H,(H,11,12)(H,13,14)
InChIKeyKXYVNSZNNNVOPT-UHFFFAOYSA-N
XLogP2.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.94
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2H-indazole-6-carboxylic acid?
The IUPAC name of 3,4-dibromo-2H-indazole-6-carboxylic acid (CID 24728404) is 3,4-dibromo-2H-indazole-6-carboxylic acid.
What is the SMILES notation for 3,4-dibromo-2H-indazole-6-carboxylic acid?
The canonical SMILES for 3,4-dibromo-2H-indazole-6-carboxylic acid is O=C(O)c1cc(Br)c2c(Br)[nH]nc2c1.
What is the InChIKey of 3,4-dibromo-2H-indazole-6-carboxylic acid?
The InChIKey is KXYVNSZNNNVOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2O2/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 3,4-dibromo-2H-indazole-6-carboxylic acid?
3,4-dibromo-2H-indazole-6-carboxylic acid has a molecular weight of 319.94 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2H-indazole-6-carboxylic acid is sourced from PubChem (CID 24728404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).