3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one

C12H8FN3O — CID 123550058

IUPAC3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-n2ccc3ccc(F)cc32)n[nH]1
InChIInChI=1S/C12H8FN3O/c13-9-2-1-8-5-6-16(10(8)7-9)11-3-4-12(17)15-14-11/h1-7H,(H,15,17)
InChIKeyIEMIHQSNSKOYQK-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.85
Rot. Bonds1

About 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one

3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one (PubChem CID 123550058) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one
PubChem CID123550058
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-n2ccc3ccc(F)cc32)n[nH]1
InChIInChI=1S/C12H8FN3O/c13-9-2-1-8-5-6-16(10(8)7-9)11-3-4-12(17)15-14-11/h1-7H,(H,15,17)
InChIKeyIEMIHQSNSKOYQK-UHFFFAOYSA-N
XLogP1.85
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one (CID 123550058) is 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one is O=c1ccc(-n2ccc3ccc(F)cc32)n[nH]1.
What is the InChIKey of 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one?
The InChIKey is IEMIHQSNSKOYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-9-2-1-8-5-6-16(10(8)7-9)11-3-4-12(17)15-14-11/h1-7H,(H,15,17).
What are the key properties of 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one?
3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one has a molecular weight of 229.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 123550058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).