2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid

C12H11FN2O3 — CID 53212371

IUPAC2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid
SMILESO=C(O)CN1N=C(c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C12H11FN2O3/c13-9-3-1-8(2-4-9)10-5-6-11(16)15(14-10)7-12(17)18/h1-4H,5-7H2,(H,17,18)
InChIKeyVJFMLUMFXRLENG-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.24
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid

2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid (PubChem CID 53212371) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid
PubChem CID53212371
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid
SMILESO=C(O)CN1N=C(c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C12H11FN2O3/c13-9-3-1-8(2-4-9)10-5-6-11(16)15(14-10)7-12(17)18/h1-4H,5-7H2,(H,17,18)
InChIKeyVJFMLUMFXRLENG-UHFFFAOYSA-N
XLogP1.24
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid (CID 53212371) is 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid is O=C(O)CN1N=C(c2ccc(F)cc2)CCC1=O.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid?
The InChIKey is VJFMLUMFXRLENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-9-3-1-8(2-4-9)10-5-6-11(16)15(14-10)7-12(17)18/h1-4H,5-7H2,(H,17,18).
What are the key properties of 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid?
2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid has a molecular weight of 250.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid is sourced from PubChem (CID 53212371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).