4-bromo-3-chloro-2H-indazole

C7H4BrClN2 — CID 24729254

IUPAC4-bromo-3-chloro-2H-indazole
SMILESClc1[nH]nc2cccc(Br)c12
InChIInChI=1S/C7H4BrClN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
InChIKeyVEZIBLSUFZJVBD-UHFFFAOYSA-N
MW231.48 g/mol
LogP2.98
Rot. Bonds

About 4-bromo-3-chloro-2H-indazole

4-bromo-3-chloro-2H-indazole (PubChem CID 24729254) has the molecular formula C7H4BrClN2 and a molecular weight of 231.48 g/mol. Its IUPAC name is 4-bromo-3-chloro-2H-indazole.

Molecular Properties

Compound Name4-bromo-3-chloro-2H-indazole
PubChem CID24729254
Molecular FormulaC7H4BrClN2
Molecular Weight231.48 g/mol
Exact Mass229.92
IUPAC Name4-bromo-3-chloro-2H-indazole
SMILESClc1[nH]nc2cccc(Br)c12
InChIInChI=1S/C7H4BrClN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
InChIKeyVEZIBLSUFZJVBD-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2H-indazole?
The IUPAC name of 4-bromo-3-chloro-2H-indazole (CID 24729254) is 4-bromo-3-chloro-2H-indazole.
What is the SMILES notation for 4-bromo-3-chloro-2H-indazole?
The canonical SMILES for 4-bromo-3-chloro-2H-indazole is Clc1[nH]nc2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-chloro-2H-indazole?
The InChIKey is VEZIBLSUFZJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11).
What are the key properties of 4-bromo-3-chloro-2H-indazole?
4-bromo-3-chloro-2H-indazole has a molecular weight of 231.48 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2H-indazole is sourced from PubChem (CID 24729254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).