2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid

C7H7FN2O3 — CID 162727173

IUPAC2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ncc(F)cc1=O
InChIInChI=1S/C7H7FN2O3/c1-4(7(12)13)10-6(11)2-5(8)3-9-10/h2-4H,1H3,(H,12,13)
InChIKeyPSVXJEVGFWDXOA-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.03
Rot. Bonds2

About 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid

2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 162727173) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid
PubChem CID162727173
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ncc(F)cc1=O
InChIInChI=1S/C7H7FN2O3/c1-4(7(12)13)10-6(11)2-5(8)3-9-10/h2-4H,1H3,(H,12,13)
InChIKeyPSVXJEVGFWDXOA-UHFFFAOYSA-N
XLogP0.03
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid (CID 162727173) is 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid is CC(C(=O)O)n1ncc(F)cc1=O.
What is the InChIKey of 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is PSVXJEVGFWDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-4(7(12)13)10-6(11)2-5(8)3-9-10/h2-4H,1H3,(H,12,13).
What are the key properties of 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid?
2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 186.14 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 162727173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).