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'}

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Related Compounds

5-fluoro-6-propan-2-yl-2H-benzimidazole
CID 118410732
7-fluoro-2,4-dimethyl-3aH-indazol-2-ium
CID 153468107
5-tert-butyl-7-fluoro-2-methyl-3aH-indazol-2-ium
CID 172123957
7-fluoro-2,5,6-trimethyl-3aH-indazol-2-ium
CID 177040376
7-(difluoromethyl)-2,5-dimethyl-3aH-indazol-2-ium
CID 177040608
7-fluoro-5-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3aH-indazol-2-ium
CID 177291865
1-methyl-3aH-indazol-1-ium
CID 123264848
5-propan-2-yl-3aH-indazole
CID 169074413
1,3-dimethyl-4H-pyrazol-1-ium;ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene
CID 169124307
ethane;7-fluoro-2,5,6-trimethyl-3aH-indazol-2-ium
CID 177040375
ethane;7-fluoro-2,5-dimethyl-3aH-indazol-2-ium
CID 177040390
2,5,7-trimethyl-3aH-indazol-2-ium
CID 177040725

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).