5-ethyl-4-fluoro-1H-pyridazin-6-one

C6H7FN2O — CID 167503148

IUPAC5-ethyl-4-fluoro-1H-pyridazin-6-one
SMILESCCc1c(F)cn[nH]c1=O
InChIInChI=1S/C6H7FN2O/c1-2-4-5(7)3-8-9-6(4)10/h3H,2H2,1H3,(H,9,10)
InChIKeyIQUKJSOQHXGMOH-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.47
Rot. Bonds1

About 5-ethyl-4-fluoro-1H-pyridazin-6-one

5-ethyl-4-fluoro-1H-pyridazin-6-one (PubChem CID 167503148) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-ethyl-4-fluoro-1H-pyridazin-6-one
PubChem CID167503148
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name5-ethyl-4-fluoro-1H-pyridazin-6-one
SMILESCCc1c(F)cn[nH]c1=O
InChIInChI=1S/C6H7FN2O/c1-2-4-5(7)3-8-9-6(4)10/h3H,2H2,1H3,(H,9,10)
InChIKeyIQUKJSOQHXGMOH-UHFFFAOYSA-N
XLogP0.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-1H-pyridazin-6-one?
The IUPAC name of 5-ethyl-4-fluoro-1H-pyridazin-6-one (CID 167503148) is 5-ethyl-4-fluoro-1H-pyridazin-6-one.
What is the SMILES notation for 5-ethyl-4-fluoro-1H-pyridazin-6-one?
The canonical SMILES for 5-ethyl-4-fluoro-1H-pyridazin-6-one is CCc1c(F)cn[nH]c1=O.
What is the InChIKey of 5-ethyl-4-fluoro-1H-pyridazin-6-one?
The InChIKey is IQUKJSOQHXGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-2-4-5(7)3-8-9-6(4)10/h3H,2H2,1H3,(H,9,10).
What are the key properties of 5-ethyl-4-fluoro-1H-pyridazin-6-one?
5-ethyl-4-fluoro-1H-pyridazin-6-one has a molecular weight of 142.13 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-1H-pyridazin-6-one is sourced from PubChem (CID 167503148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).