7-fluoro-2,5-dimethyl-3aH-indazol-2-ium

C9H10FN2+ — CID 177040391

IUPAC7-fluoro-2,5-dimethyl-3aH-indazol-2-ium
SMILESCC1=CC2C=[N+](C)N=C2C(F)=C1
InChIInChI=1S/C9H10FN2/c1-6-3-7-5-12(2)11-9(7)8(10)4-6/h3-5,7H,1-2H3/q+1
InChIKeyABJGBBSFTYSQPN-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.50
Rot. Bonds

About 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium

7-fluoro-2,5-dimethyl-3aH-indazol-2-ium (PubChem CID 177040391) has the molecular formula C9H10FN2+ and a molecular weight of 165.19 g/mol. Its IUPAC name is 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium.

Molecular Properties

Compound Name7-fluoro-2,5-dimethyl-3aH-indazol-2-ium
PubChem CID177040391
Molecular FormulaC9H10FN2+
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name7-fluoro-2,5-dimethyl-3aH-indazol-2-ium
SMILESCC1=CC2C=[N+](C)N=C2C(F)=C1
InChIInChI=1S/C9H10FN2/c1-6-3-7-5-12(2)11-9(7)8(10)4-6/h3-5,7H,1-2H3/q+1
InChIKeyABJGBBSFTYSQPN-UHFFFAOYSA-N
XLogP1.50
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium?
The IUPAC name of 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium (CID 177040391) is 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium.
What is the SMILES notation for 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium?
The canonical SMILES for 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium is CC1=CC2C=[N+](C)N=C2C(F)=C1.
What is the InChIKey of 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium?
The InChIKey is ABJGBBSFTYSQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN2/c1-6-3-7-5-12(2)11-9(7)8(10)4-6/h3-5,7H,1-2H3/q+1.
What are the key properties of 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium?
7-fluoro-2,5-dimethyl-3aH-indazol-2-ium has a molecular weight of 165.19 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,5-dimethyl-3aH-indazol-2-ium is sourced from PubChem (CID 177040391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).