2-fluoro-1-pyridazin-4-ylethanone

C6H5FN2O — CID 88913580

IUPAC2-fluoro-1-pyridazin-4-ylethanone
SMILESO=C(CF)c1ccnnc1
InChIInChI=1S/C6H5FN2O/c7-3-6(10)5-1-2-8-9-4-5/h1-2,4H,3H2
InChIKeyBVMIXARNWDBRPW-UHFFFAOYSA-N
MW140.12 g/mol
LogP0.63
Rot. Bonds2

About 2-fluoro-1-pyridazin-4-ylethanone

2-fluoro-1-pyridazin-4-ylethanone (PubChem CID 88913580) has the molecular formula C6H5FN2O and a molecular weight of 140.12 g/mol. Its IUPAC name is 2-fluoro-1-pyridazin-4-ylethanone.

Molecular Properties

Compound Name2-fluoro-1-pyridazin-4-ylethanone
PubChem CID88913580
Molecular FormulaC6H5FN2O
Molecular Weight140.12 g/mol
Exact Mass140.04
IUPAC Name2-fluoro-1-pyridazin-4-ylethanone
SMILESO=C(CF)c1ccnnc1
InChIInChI=1S/C6H5FN2O/c7-3-6(10)5-1-2-8-9-4-5/h1-2,4H,3H2
InChIKeyBVMIXARNWDBRPW-UHFFFAOYSA-N
XLogP0.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-3-pyridazin-4-ylpropanenitrile
CID 131087393
3-ethyl-1-pyridazin-4-ylpentan-1-one
CID 105125376
pyridazine-4-carboxamide
CID 10920505
1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 105093000
2-(2-methylphenyl)-1-pyridazin-4-ylethanone
CID 105079516
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone
CID 105082938
ethyl pyridazine-4-carboxylate;hydron
CID 174586916
2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
CID 105129169
pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095554

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pyridazin-4-ylethanone?
The IUPAC name of 2-fluoro-1-pyridazin-4-ylethanone (CID 88913580) is 2-fluoro-1-pyridazin-4-ylethanone.
What is the SMILES notation for 2-fluoro-1-pyridazin-4-ylethanone?
The canonical SMILES for 2-fluoro-1-pyridazin-4-ylethanone is O=C(CF)c1ccnnc1.
What is the InChIKey of 2-fluoro-1-pyridazin-4-ylethanone?
The InChIKey is BVMIXARNWDBRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O/c7-3-6(10)5-1-2-8-9-4-5/h1-2,4H,3H2.
What are the key properties of 2-fluoro-1-pyridazin-4-ylethanone?
2-fluoro-1-pyridazin-4-ylethanone has a molecular weight of 140.12 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-pyridazin-4-ylethanone is sourced from PubChem (CID 88913580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).