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

C6H5FN2O3 — CID 81296780

IUPAC2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)C(F)n1ncccc1=O
InChIInChI=1S/C6H5FN2O3/c7-5(6(11)12)9-4(10)2-1-3-8-9/h1-3,5H,(H,11,12)
InChIKeyGWDOLAAGINSIIO-UHFFFAOYSA-N
MW172.12 g/mol
LogP-0.20
Rot. Bonds2

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

2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid (PubChem CID 81296780) has the molecular formula C6H5FN2O3 and a molecular weight of 172.12 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid
PubChem CID81296780
Molecular FormulaC6H5FN2O3
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Name2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)C(F)n1ncccc1=O
InChIInChI=1S/C6H5FN2O3/c7-5(6(11)12)9-4(10)2-1-3-8-9/h1-3,5H,(H,11,12)
InChIKeyGWDOLAAGINSIIO-UHFFFAOYSA-N
XLogP-0.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Chloro-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 5121297
2-(6-Oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 1415536
2-Ethylpyridazin-3-one;2,2,2-trifluoroacetic acid
CID 160105808
2-(4-Fluoro-6-oxopyridazin-1-yl)propanoic acid
CID 162727173
2-(4-Fluoro-6-oxopyridazin-1-yl)acetic acid
CID 162728034
Ethyl 2-fluoro-2-(6-oxopyridazin-1-yl)acetate
CID 81296975
2-Fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
CID 81297484
2-Fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
CID 106548422
2-Methylpyridazin-3-one;2,2,2-trifluoroacetic acid
CID 162541908
Methyl 2-(6-oxohydropyridazinyl)acetate
CID 46786410
2-(6-oxopyridazin-1(6H)-yl)propanoic acid
CID 52992014
2-(4-Hydroxy-6-oxopyridazin-1-yl)acetic acid
CID 57300311

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid (CID 81296780) is 2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid is O=C(O)C(F)n1ncccc1=O.
What is the InChIKey of 2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid?
The InChIKey is GWDOLAAGINSIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O3/c7-5(6(11)12)9-4(10)2-1-3-8-9/h1-3,5H,(H,11,12).
What are the key properties of 2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid?
2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid has a molecular weight of 172.12 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 81296780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).