4-bromo-6-fluoro-5-methyl-1H-indazole

C8H6BrFN2 — CID 139508183

IUPAC4-bromo-6-fluoro-5-methyl-1H-indazole
SMILESCc1c(F)cc2[nH]ncc2c1Br
InChIInChI=1S/C8H6BrFN2/c1-4-6(10)2-7-5(8(4)9)3-11-12-7/h2-3H,1H3,(H,11,12)
InChIKeyKTVXLJRLCJULLL-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.77
Rot. Bonds

About 4-bromo-6-fluoro-5-methyl-1H-indazole

4-bromo-6-fluoro-5-methyl-1H-indazole (PubChem CID 139508183) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 4-bromo-6-fluoro-5-methyl-1H-indazole.

Molecular Properties

Compound Name4-bromo-6-fluoro-5-methyl-1H-indazole
PubChem CID139508183
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name4-bromo-6-fluoro-5-methyl-1H-indazole
SMILESCc1c(F)cc2[nH]ncc2c1Br
InChIInChI=1S/C8H6BrFN2/c1-4-6(10)2-7-5(8(4)9)3-11-12-7/h2-3H,1H3,(H,11,12)
InChIKeyKTVXLJRLCJULLL-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-5-methyl-1H-indazole?
The IUPAC name of 4-bromo-6-fluoro-5-methyl-1H-indazole (CID 139508183) is 4-bromo-6-fluoro-5-methyl-1H-indazole.
What is the SMILES notation for 4-bromo-6-fluoro-5-methyl-1H-indazole?
The canonical SMILES for 4-bromo-6-fluoro-5-methyl-1H-indazole is Cc1c(F)cc2[nH]ncc2c1Br.
What is the InChIKey of 4-bromo-6-fluoro-5-methyl-1H-indazole?
The InChIKey is KTVXLJRLCJULLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-4-6(10)2-7-5(8(4)9)3-11-12-7/h2-3H,1H3,(H,11,12).
What are the key properties of 4-bromo-6-fluoro-5-methyl-1H-indazole?
4-bromo-6-fluoro-5-methyl-1H-indazole has a molecular weight of 229.05 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-5-methyl-1H-indazole is sourced from PubChem (CID 139508183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).