3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid

C13H11FN2O3 — CID 2810673

IUPAC3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid
SMILESO=C(O)CCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)11-5-6-12(17)16(15-11)8-7-13(18)19/h1-6H,7-8H2,(H,18,19)
InChIKeyNZCWSVNDWPYQNJ-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.52
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid

3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid (PubChem CID 2810673) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid
PubChem CID2810673
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid
SMILESO=C(O)CCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)11-5-6-12(17)16(15-11)8-7-13(18)19/h1-6H,7-8H2,(H,18,19)
InChIKeyNZCWSVNDWPYQNJ-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid (CID 2810673) is 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid is O=C(O)CCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid?
The InChIKey is NZCWSVNDWPYQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)11-5-6-12(17)16(15-11)8-7-13(18)19/h1-6H,7-8H2,(H,18,19).
What are the key properties of 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid?
3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid has a molecular weight of 262.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoic acid is sourced from PubChem (CID 2810673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).