2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid

C11H14FN3O3 — CID 114393914

IUPAC2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid
SMILESO=C(O)C(F)n1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H14FN3O3/c12-10(11(17)18)15-9(16)6-8(7-13-15)14-4-2-1-3-5-14/h6-7,10H,1-5H2,(H,17,18)
InChIKeyUTQPOACMFVOGIX-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.79
Rot. Bonds3

About 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid

2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid (PubChem CID 114393914) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid
PubChem CID114393914
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid
SMILESO=C(O)C(F)n1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H14FN3O3/c12-10(11(17)18)15-9(16)6-8(7-13-15)14-4-2-1-3-5-14/h6-7,10H,1-5H2,(H,17,18)
InChIKeyUTQPOACMFVOGIX-UHFFFAOYSA-N
XLogP0.79
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-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

Related Compounds

2-Fluoro-2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 113579354
2-Fluoro-2-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 113579365
2-Fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
CID 114393812
2-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114393853
2-Fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid
CID 114393892
Ethyl 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetate
CID 114393915
2-Fluoro-2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 114393936
2-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114393993
2-[4-(Diethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114394037
2-Fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid
CID 114394094
2-Fluoro-2-[4-(4-methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 114394142
2-(5-Chloro-6-oxo-4-(piperidin-1-yl)pyridazin-1(6H)-yl)acetic acid
CID 97619507

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid (CID 114393914) is 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid is O=C(O)C(F)n1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid?
The InChIKey is UTQPOACMFVOGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c12-10(11(17)18)15-9(16)6-8(7-13-15)14-4-2-1-3-5-14/h6-7,10H,1-5H2,(H,17,18).
What are the key properties of 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid?
2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid has a molecular weight of 255.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid is sourced from PubChem (CID 114393914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).