3-bromo-4-chloro-7-fluoro-2H-indazole

C7H3BrClFN2 — CID 114589297

IUPAC3-bromo-4-chloro-7-fluoro-2H-indazole
SMILESFc1ccc(Cl)c2c(Br)[nH]nc12
InChIInChI=1S/C7H3BrClFN2/c8-7-5-3(9)1-2-4(10)6(5)11-12-7/h1-2H,(H,11,12)
InChIKeyZOEWCIRZJVTWIZ-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.12
Rot. Bonds

About 3-bromo-4-chloro-7-fluoro-2H-indazole

3-bromo-4-chloro-7-fluoro-2H-indazole (PubChem CID 114589297) has the molecular formula C7H3BrClFN2 and a molecular weight of 249.47 g/mol. Its IUPAC name is 3-bromo-4-chloro-7-fluoro-2H-indazole.

Molecular Properties

Compound Name3-bromo-4-chloro-7-fluoro-2H-indazole
PubChem CID114589297
Molecular FormulaC7H3BrClFN2
Molecular Weight249.47 g/mol
Exact Mass247.92
IUPAC Name3-bromo-4-chloro-7-fluoro-2H-indazole
SMILESFc1ccc(Cl)c2c(Br)[nH]nc12
InChIInChI=1S/C7H3BrClFN2/c8-7-5-3(9)1-2-4(10)6(5)11-12-7/h1-2H,(H,11,12)
InChIKeyZOEWCIRZJVTWIZ-UHFFFAOYSA-N
XLogP3.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-7-fluoro-2H-indazole?
The IUPAC name of 3-bromo-4-chloro-7-fluoro-2H-indazole (CID 114589297) is 3-bromo-4-chloro-7-fluoro-2H-indazole.
What is the SMILES notation for 3-bromo-4-chloro-7-fluoro-2H-indazole?
The canonical SMILES for 3-bromo-4-chloro-7-fluoro-2H-indazole is Fc1ccc(Cl)c2c(Br)[nH]nc12.
What is the InChIKey of 3-bromo-4-chloro-7-fluoro-2H-indazole?
The InChIKey is ZOEWCIRZJVTWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFN2/c8-7-5-3(9)1-2-4(10)6(5)11-12-7/h1-2H,(H,11,12).
What are the key properties of 3-bromo-4-chloro-7-fluoro-2H-indazole?
3-bromo-4-chloro-7-fluoro-2H-indazole has a molecular weight of 249.47 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-7-fluoro-2H-indazole is sourced from PubChem (CID 114589297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).