5-bromo-6-fluoro-1,3-dimethylindazole

C9H8BrFN2 — CID 58834709

IUPAC5-bromo-6-fluoro-1,3-dimethylindazole
SMILESCc1nn(C)c2cc(F)c(Br)cc12
InChIInChI=1S/C9H8BrFN2/c1-5-6-3-7(10)8(11)4-9(6)13(2)12-5/h3-4H,1-2H3
InChIKeyYKKXTPMGWNSYAE-UHFFFAOYSA-N
MW243.08 g/mol
LogP2.78
Rot. Bonds

About 5-bromo-6-fluoro-1,3-dimethylindazole

5-bromo-6-fluoro-1,3-dimethylindazole (PubChem CID 58834709) has the molecular formula C9H8BrFN2 and a molecular weight of 243.08 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1,3-dimethylindazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-1,3-dimethylindazole
PubChem CID58834709
Molecular FormulaC9H8BrFN2
Molecular Weight243.08 g/mol
Exact Mass241.99
IUPAC Name5-bromo-6-fluoro-1,3-dimethylindazole
SMILESCc1nn(C)c2cc(F)c(Br)cc12
InChIInChI=1S/C9H8BrFN2/c1-5-6-3-7(10)8(11)4-9(6)13(2)12-5/h3-4H,1-2H3
InChIKeyYKKXTPMGWNSYAE-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1,3-dimethylindazole?
The IUPAC name of 5-bromo-6-fluoro-1,3-dimethylindazole (CID 58834709) is 5-bromo-6-fluoro-1,3-dimethylindazole.
What is the SMILES notation for 5-bromo-6-fluoro-1,3-dimethylindazole?
The canonical SMILES for 5-bromo-6-fluoro-1,3-dimethylindazole is Cc1nn(C)c2cc(F)c(Br)cc12.
What is the InChIKey of 5-bromo-6-fluoro-1,3-dimethylindazole?
The InChIKey is YKKXTPMGWNSYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2/c1-5-6-3-7(10)8(11)4-9(6)13(2)12-5/h3-4H,1-2H3.
What are the key properties of 5-bromo-6-fluoro-1,3-dimethylindazole?
5-bromo-6-fluoro-1,3-dimethylindazole has a molecular weight of 243.08 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1,3-dimethylindazole is sourced from PubChem (CID 58834709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).