3-bromo-6-fluoro-7-methyl-2H-indazole

C8H6BrFN2 — CID 114589294

IUPAC3-bromo-6-fluoro-7-methyl-2H-indazole
SMILESCc1c(F)ccc2c(Br)[nH]nc12
InChIInChI=1S/C8H6BrFN2/c1-4-6(10)3-2-5-7(4)11-12-8(5)9/h2-3H,1H3,(H,11,12)
InChIKeyWKRMXRVBGZUOTQ-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.77
Rot. Bonds

About 3-bromo-6-fluoro-7-methyl-2H-indazole

3-bromo-6-fluoro-7-methyl-2H-indazole (PubChem CID 114589294) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 3-bromo-6-fluoro-7-methyl-2H-indazole.

Molecular Properties

Compound Name3-bromo-6-fluoro-7-methyl-2H-indazole
PubChem CID114589294
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name3-bromo-6-fluoro-7-methyl-2H-indazole
SMILESCc1c(F)ccc2c(Br)[nH]nc12
InChIInChI=1S/C8H6BrFN2/c1-4-6(10)3-2-5-7(4)11-12-8(5)9/h2-3H,1H3,(H,11,12)
InChIKeyWKRMXRVBGZUOTQ-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 3-bromo-6-fluoro-7-methyl-2H-indazole?
The IUPAC name of 3-bromo-6-fluoro-7-methyl-2H-indazole (CID 114589294) is 3-bromo-6-fluoro-7-methyl-2H-indazole.
What is the SMILES notation for 3-bromo-6-fluoro-7-methyl-2H-indazole?
The canonical SMILES for 3-bromo-6-fluoro-7-methyl-2H-indazole is Cc1c(F)ccc2c(Br)[nH]nc12.
What is the InChIKey of 3-bromo-6-fluoro-7-methyl-2H-indazole?
The InChIKey is WKRMXRVBGZUOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-4-6(10)3-2-5-7(4)11-12-8(5)9/h2-3H,1H3,(H,11,12).
What are the key properties of 3-bromo-6-fluoro-7-methyl-2H-indazole?
3-bromo-6-fluoro-7-methyl-2H-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 3-bromo-6-fluoro-7-methyl-2H-indazole is sourced from PubChem (CID 114589294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).