2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid

C10H12FN3O4 — CID 114393892

IUPAC2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)C(F)n1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C10H12FN3O4/c11-9(10(16)17)14-8(15)5-7(6-12-14)13-1-3-18-4-2-13/h5-6,9H,1-4H2,(H,16,17)
InChIKeyPDFMUIVDSUFJOT-UHFFFAOYSA-N
MW257.22 g/mol
LogP-0.37
Rot. Bonds3

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

2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid (PubChem CID 114393892) has the molecular formula C10H12FN3O4 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid
PubChem CID114393892
Molecular FormulaC10H12FN3O4
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)C(F)n1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C10H12FN3O4/c11-9(10(16)17)14-8(15)5-7(6-12-14)13-1-3-18-4-2-13/h5-6,9H,1-4H2,(H,16,17)
InChIKeyPDFMUIVDSUFJOT-UHFFFAOYSA-N
XLogP-0.37
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid (CID 114393892) is 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid is O=C(O)C(F)n1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is PDFMUIVDSUFJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4/c11-9(10(16)17)14-8(15)5-7(6-12-14)13-1-3-18-4-2-13/h5-6,9H,1-4H2,(H,16,17).
What are the key properties of 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid?
2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 257.22 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 114393892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).