4-fluoro-2-methyl-1H-indazol-2-ium

C8H8FN2+ — CID 123918392

IUPAC4-fluoro-2-methyl-1H-indazol-2-ium
SMILESC[n+]1cc2c(F)cccc2[nH]1
InChIInChI=1S/C8H7FN2/c1-11-5-6-7(9)3-2-4-8(6)10-11/h2-5H,1H3/p+1
InChIKeyXGRNAZUGIJSBSX-UHFFFAOYSA-O
MW151.16 g/mol
LogP1.13
Rot. Bonds

About 4-fluoro-2-methyl-1H-indazol-2-ium

4-fluoro-2-methyl-1H-indazol-2-ium (PubChem CID 123918392) has the molecular formula C8H8FN2+ and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1H-indazol-2-ium.

Molecular Properties

Compound Name4-fluoro-2-methyl-1H-indazol-2-ium
PubChem CID123918392
Molecular FormulaC8H8FN2+
Molecular Weight151.16 g/mol
Exact Mass151.07
IUPAC Name4-fluoro-2-methyl-1H-indazol-2-ium
SMILESC[n+]1cc2c(F)cccc2[nH]1
InChIInChI=1S/C8H7FN2/c1-11-5-6-7(9)3-2-4-8(6)10-11/h2-5H,1H3/p+1
InChIKeyXGRNAZUGIJSBSX-UHFFFAOYSA-O
XLogP1.13
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.13
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 4-fluoro-2-methyl-1H-indazol-2-ium?
The IUPAC name of 4-fluoro-2-methyl-1H-indazol-2-ium (CID 123918392) is 4-fluoro-2-methyl-1H-indazol-2-ium.
What is the SMILES notation for 4-fluoro-2-methyl-1H-indazol-2-ium?
The canonical SMILES for 4-fluoro-2-methyl-1H-indazol-2-ium is C[n+]1cc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-2-methyl-1H-indazol-2-ium?
The InChIKey is XGRNAZUGIJSBSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7FN2/c1-11-5-6-7(9)3-2-4-8(6)10-11/h2-5H,1H3/p+1.
What are the key properties of 4-fluoro-2-methyl-1H-indazol-2-ium?
4-fluoro-2-methyl-1H-indazol-2-ium has a molecular weight of 151.16 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1H-indazol-2-ium is sourced from PubChem (CID 123918392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).