1-(3-fluorophenyl)-2H-indazol-3-one

C13H9FN2O — CID 122394958

IUPAC1-(3-fluorophenyl)-2H-indazol-3-one
SMILESO=c1[nH]n(-c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C13H9FN2O/c14-9-4-3-5-10(8-9)16-12-7-2-1-6-11(12)13(17)15-16/h1-8H,(H,15,17)
InChIKeyQVLCZDADRDLXAD-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.46
Rot. Bonds1

About 1-(3-fluorophenyl)-2H-indazol-3-one

1-(3-fluorophenyl)-2H-indazol-3-one (PubChem CID 122394958) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2H-indazol-3-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2H-indazol-3-one
PubChem CID122394958
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name1-(3-fluorophenyl)-2H-indazol-3-one
SMILESO=c1[nH]n(-c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C13H9FN2O/c14-9-4-3-5-10(8-9)16-12-7-2-1-6-11(12)13(17)15-16/h1-8H,(H,15,17)
InChIKeyQVLCZDADRDLXAD-UHFFFAOYSA-N
XLogP2.46
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-methyl-1-phenyl-2H-indazol-3-one
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2-(3-fluorophenyl)-1H-pyrazol-5-one
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6-chloro-1-phenyl-2H-indazol-3-one
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1-bromo-9-(3-fluorophenyl)carbazole
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1-(2-methylsulfanylpyrimidin-4-yl)-2H-indazol-3-one
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5-(3-fluorophenyl)quinolino[4,3-b]quinoxalin-6-one
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1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one
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2-(3-fluorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021501
1-iodo-2H-indazol-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2H-indazol-3-one?
The IUPAC name of 1-(3-fluorophenyl)-2H-indazol-3-one (CID 122394958) is 1-(3-fluorophenyl)-2H-indazol-3-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2H-indazol-3-one?
The canonical SMILES for 1-(3-fluorophenyl)-2H-indazol-3-one is O=c1[nH]n(-c2cccc(F)c2)c2ccccc12.
What is the InChIKey of 1-(3-fluorophenyl)-2H-indazol-3-one?
The InChIKey is QVLCZDADRDLXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-9-4-3-5-10(8-9)16-12-7-2-1-6-11(12)13(17)15-16/h1-8H,(H,15,17).
What are the key properties of 1-(3-fluorophenyl)-2H-indazol-3-one?
1-(3-fluorophenyl)-2H-indazol-3-one has a molecular weight of 228.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2H-indazol-3-one is sourced from PubChem (CID 122394958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).