2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid

C7H7FN2O3 — CID 81297484

IUPAC2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1ccc(=O)n(C(F)C(=O)O)n1
InChIInChI=1S/C7H7FN2O3/c1-4-2-3-5(11)10(9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeyUSOHKPAXHTXLSA-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.10
Rot. Bonds2

About 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid

2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid (PubChem CID 81297484) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
PubChem CID81297484
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
SMILESCc1ccc(=O)n(C(F)C(=O)O)n1
InChIInChI=1S/C7H7FN2O3/c1-4-2-3-5(11)10(9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13)
InChIKeyUSOHKPAXHTXLSA-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-2-(3-methyl-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-(3-methyl-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid (CID 81297484) is 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid is Cc1ccc(=O)n(C(F)C(=O)O)n1.
What is the InChIKey of 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is USOHKPAXHTXLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-4-2-3-5(11)10(9-4)6(8)7(12)13/h2-3,6H,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid?
2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 186.14 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 81297484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).