5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium

C8H7BrFN2+ — CID 170197032

IUPAC5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium
SMILESC[n+]1cc2cc(Br)cc(F)c2[nH]1
InChIInChI=1S/C8H6BrFN2/c1-12-4-5-2-6(9)3-7(10)8(5)11-12/h2-4H,1H3/p+1
InChIKeyURTHLXXARWPJCU-UHFFFAOYSA-O
MW230.06 g/mol
LogP1.89
Rot. Bonds

About 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium

5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium (PubChem CID 170197032) has the molecular formula C8H7BrFN2+ and a molecular weight of 230.06 g/mol. Its IUPAC name is 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium.

Molecular Properties

Compound Name5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium
PubChem CID170197032
Molecular FormulaC8H7BrFN2+
Molecular Weight230.06 g/mol
Exact Mass228.98
IUPAC Name5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium
SMILESC[n+]1cc2cc(Br)cc(F)c2[nH]1
InChIInChI=1S/C8H6BrFN2/c1-12-4-5-2-6(9)3-7(10)8(5)11-12/h2-4H,1H3/p+1
InChIKeyURTHLXXARWPJCU-UHFFFAOYSA-O
XLogP1.89
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium?
The IUPAC name of 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium (CID 170197032) is 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium.
What is the SMILES notation for 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium?
The canonical SMILES for 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium is C[n+]1cc2cc(Br)cc(F)c2[nH]1.
What is the InChIKey of 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium?
The InChIKey is URTHLXXARWPJCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6BrFN2/c1-12-4-5-2-6(9)3-7(10)8(5)11-12/h2-4H,1H3/p+1.
What are the key properties of 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium?
5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium has a molecular weight of 230.06 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-2-methyl-1H-indazol-2-ium is sourced from PubChem (CID 170197032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).