5-bromo-3-(fluoromethyl)-2H-indazole

C8H6BrFN2 — CID 84692330

IUPAC5-bromo-3-(fluoromethyl)-2H-indazole
SMILESFCc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C8H6BrFN2/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,4H2,(H,11,12)
InChIKeyVYOKIOBGQOXJFM-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.79
Rot. Bonds1

About 5-bromo-3-(fluoromethyl)-2H-indazole

5-bromo-3-(fluoromethyl)-2H-indazole (PubChem CID 84692330) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 5-bromo-3-(fluoromethyl)-2H-indazole.

Molecular Properties

Compound Name5-bromo-3-(fluoromethyl)-2H-indazole
PubChem CID84692330
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name5-bromo-3-(fluoromethyl)-2H-indazole
SMILESFCc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C8H6BrFN2/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,4H2,(H,11,12)
InChIKeyVYOKIOBGQOXJFM-UHFFFAOYSA-N
XLogP2.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-5-bromo-2H-indazole
CID 66915538
5-bromo-3-fluoro-2H-indazole
CID 66793399
5-bromo-3-iodo-2H-indazole
CID 23156224
2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine
CID 84729142
ethyl 2-(5-bromo-2H-indazol-3-yl)acetate
CID 54553122
1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine
CID 83913468
2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid
CID 83913593
5-bromo-3-methylsulfonyl-2H-indazole
CID 54229595
5-bromo-3-cyclobutyl-2H-indazole
CID 66826429
1-(5-bromo-2H-indazol-3-yl)cyclopropan-1-amine
CID 175349705
5-bromo-3-fluoro-2H-indazole;5-bromo-1H-indazole
CID 158761275
3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol
CID 171861112

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(fluoromethyl)-2H-indazole?
The IUPAC name of 5-bromo-3-(fluoromethyl)-2H-indazole (CID 84692330) is 5-bromo-3-(fluoromethyl)-2H-indazole.
What is the SMILES notation for 5-bromo-3-(fluoromethyl)-2H-indazole?
The canonical SMILES for 5-bromo-3-(fluoromethyl)-2H-indazole is FCc1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(fluoromethyl)-2H-indazole?
The InChIKey is VYOKIOBGQOXJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,4H2,(H,11,12).
What are the key properties of 5-bromo-3-(fluoromethyl)-2H-indazole?
5-bromo-3-(fluoromethyl)-2H-indazole has a molecular weight of 229.05 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(fluoromethyl)-2H-indazole is sourced from PubChem (CID 84692330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).