3-bromo-5,6-difluoro-2H-indazole

C7H3BrF2N2 — CID 51358615

IUPAC3-bromo-5,6-difluoro-2H-indazole
SMILESFc1cc2n[nH]c(Br)c2cc1F
InChIInChI=1S/C7H3BrF2N2/c8-7-3-1-4(9)5(10)2-6(3)11-12-7/h1-2H,(H,11,12)
InChIKeyBAWKUYQIZMQJJE-UHFFFAOYSA-N
MW233.02 g/mol
LogP2.60
Rot. Bonds

About 3-bromo-5,6-difluoro-2H-indazole

3-bromo-5,6-difluoro-2H-indazole (PubChem CID 51358615) has the molecular formula C7H3BrF2N2 and a molecular weight of 233.02 g/mol. Its IUPAC name is 3-bromo-5,6-difluoro-2H-indazole.

Molecular Properties

Compound Name3-bromo-5,6-difluoro-2H-indazole
PubChem CID51358615
Molecular FormulaC7H3BrF2N2
Molecular Weight233.02 g/mol
Exact Mass231.94
IUPAC Name3-bromo-5,6-difluoro-2H-indazole
SMILESFc1cc2n[nH]c(Br)c2cc1F
InChIInChI=1S/C7H3BrF2N2/c8-7-3-1-4(9)5(10)2-6(3)11-12-7/h1-2H,(H,11,12)
InChIKeyBAWKUYQIZMQJJE-UHFFFAOYSA-N
XLogP2.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6-difluoro-2H-indazole?
The IUPAC name of 3-bromo-5,6-difluoro-2H-indazole (CID 51358615) is 3-bromo-5,6-difluoro-2H-indazole.
What is the SMILES notation for 3-bromo-5,6-difluoro-2H-indazole?
The canonical SMILES for 3-bromo-5,6-difluoro-2H-indazole is Fc1cc2n[nH]c(Br)c2cc1F.
What is the InChIKey of 3-bromo-5,6-difluoro-2H-indazole?
The InChIKey is BAWKUYQIZMQJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2/c8-7-3-1-4(9)5(10)2-6(3)11-12-7/h1-2H,(H,11,12).
What are the key properties of 3-bromo-5,6-difluoro-2H-indazole?
3-bromo-5,6-difluoro-2H-indazole has a molecular weight of 233.02 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6-difluoro-2H-indazole is sourced from PubChem (CID 51358615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).