6-bromo-7-chloro-2H-indazole-3-carboxylic acid

C8H4BrClN2O2 — CID 156526144

IUPAC6-bromo-7-chloro-2H-indazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c(Cl)c(Br)ccc12
InChIInChI=1S/C8H4BrClN2O2/c9-4-2-1-3-6(5(4)10)11-12-7(3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyOWDYIOIDYOWMIA-UHFFFAOYSA-N
MW275.49 g/mol
LogP2.68
Rot. Bonds1

About 6-bromo-7-chloro-2H-indazole-3-carboxylic acid

6-bromo-7-chloro-2H-indazole-3-carboxylic acid (PubChem CID 156526144) has the molecular formula C8H4BrClN2O2 and a molecular weight of 275.49 g/mol. Its IUPAC name is 6-bromo-7-chloro-2H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-7-chloro-2H-indazole-3-carboxylic acid
PubChem CID156526144
Molecular FormulaC8H4BrClN2O2
Molecular Weight275.49 g/mol
Exact Mass273.91
IUPAC Name6-bromo-7-chloro-2H-indazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c(Cl)c(Br)ccc12
InChIInChI=1S/C8H4BrClN2O2/c9-4-2-1-3-6(5(4)10)11-12-7(3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyOWDYIOIDYOWMIA-UHFFFAOYSA-N
XLogP2.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-2H-indazole-3-carboxylic acid?
The IUPAC name of 6-bromo-7-chloro-2H-indazole-3-carboxylic acid (CID 156526144) is 6-bromo-7-chloro-2H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-bromo-7-chloro-2H-indazole-3-carboxylic acid?
The canonical SMILES for 6-bromo-7-chloro-2H-indazole-3-carboxylic acid is O=C(O)c1[nH]nc2c(Cl)c(Br)ccc12.
What is the InChIKey of 6-bromo-7-chloro-2H-indazole-3-carboxylic acid?
The InChIKey is OWDYIOIDYOWMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O2/c9-4-2-1-3-6(5(4)10)11-12-7(3)8(13)14/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 6-bromo-7-chloro-2H-indazole-3-carboxylic acid?
6-bromo-7-chloro-2H-indazole-3-carboxylic acid has a molecular weight of 275.49 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-2H-indazole-3-carboxylic acid is sourced from PubChem (CID 156526144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).