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

C10H12FN3O3 — CID 114393812

IUPAC2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
SMILESO=C(O)C(F)n1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H12FN3O3/c11-9(10(16)17)14-8(15)5-7(6-12-14)13-3-1-2-4-13/h5-6,9H,1-4H2,(H,16,17)
InChIKeyDTTRNEGBFKPLTL-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.40
Rot. Bonds3

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

2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid (PubChem CID 114393812) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
PubChem CID114393812
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
SMILESO=C(O)C(F)n1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H12FN3O3/c11-9(10(16)17)14-8(15)5-7(6-12-14)13-3-1-2-4-13/h5-6,9H,1-4H2,(H,16,17)
InChIKeyDTTRNEGBFKPLTL-UHFFFAOYSA-N
XLogP0.40
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate
CID 113579305
2-Fluoro-2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 113579366
2-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114393853
2-Fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid
CID 114393914
2-Fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetic acid
CID 114393959
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-[5-Bromo-4-(3,3-difluoropyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 167855894
2-(5-Chloro-6-oxo-4-(pyrrolidin-1-yl)pyridazin-1(6H)-yl)acetic acid
CID 97619506
2-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
CID 114393803
2-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
CID 114393804

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid (CID 114393812) is 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid is O=C(O)C(F)n1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid?
The InChIKey is DTTRNEGBFKPLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c11-9(10(16)17)14-8(15)5-7(6-12-14)13-3-1-2-4-13/h5-6,9H,1-4H2,(H,16,17).
What are the key properties of 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid?
2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid has a molecular weight of 241.22 g/mol, XLogP of 0.40, 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-pyrrolidin-1-ylpyridazin-1-yl)acetic acid is sourced from PubChem (CID 114393812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).