1-(4-fluoroindazol-1-yl)ethanone

C9H7FN2O — CID 91083583

IUPAC1-(4-fluoroindazol-1-yl)ethanone
SMILESCC(=O)n1ncc2c(F)cccc21
InChIInChI=1S/C9H7FN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11-12/h2-5H,1H3
InChIKeyOZQQTOAWTQXUSP-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.84
Rot. Bonds

About 1-(4-fluoroindazol-1-yl)ethanone

1-(4-fluoroindazol-1-yl)ethanone (PubChem CID 91083583) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 1-(4-fluoroindazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoroindazol-1-yl)ethanone
PubChem CID91083583
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name1-(4-fluoroindazol-1-yl)ethanone
SMILESCC(=O)n1ncc2c(F)cccc21
InChIInChI=1S/C9H7FN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11-12/h2-5H,1H3
InChIKeyOZQQTOAWTQXUSP-UHFFFAOYSA-N
XLogP1.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-indazole
CID 797066
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
N-(1H-indazol-5-yl)acetamide
CID 17164245
1-Methyl-1H-indazole
CID 139456
2-(2H-indazol-2-yl)acetic acid
CID 12252435
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
1-Phenyl-1H-indazole
CID 304268
Methyl 2-(1H-indazol-1-YL)acetate
CID 49835852
N-1H-Indazol-4-yl-2,2-dimethylpropanamide
CID 1482887
3-(1H-indazol-1-yl)propanoic acid
CID 805922
3-(1H-indazol-1-yl)propanenitrile
CID 3244150
2H-Indazole, 2-(3-fluorophenyl)-
CID 3067340

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroindazol-1-yl)ethanone?
The IUPAC name of 1-(4-fluoroindazol-1-yl)ethanone (CID 91083583) is 1-(4-fluoroindazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluoroindazol-1-yl)ethanone?
The canonical SMILES for 1-(4-fluoroindazol-1-yl)ethanone is CC(=O)n1ncc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoroindazol-1-yl)ethanone?
The InChIKey is OZQQTOAWTQXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11-12/h2-5H,1H3.
What are the key properties of 1-(4-fluoroindazol-1-yl)ethanone?
1-(4-fluoroindazol-1-yl)ethanone has a molecular weight of 178.17 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroindazol-1-yl)ethanone is sourced from PubChem (CID 91083583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).