2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid

C8H9FN2O3 — CID 162727474

IUPAC2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1c(F)cnn(C(C)C(=O)O)c1=O
InChIInChI=1S/C8H9FN2O3/c1-4-6(9)3-10-11(7(4)12)5(2)8(13)14/h3,5H,1-2H3,(H,13,14)
InChIKeyKKUDRNVXWXNPET-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.34
Rot. Bonds2

About 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid

2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 162727474) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
PubChem CID162727474
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1c(F)cnn(C(C)C(=O)O)c1=O
InChIInChI=1S/C8H9FN2O3/c1-4-6(9)3-10-11(7(4)12)5(2)8(13)14/h3,5H,1-2H3,(H,13,14)
InChIKeyKKUDRNVXWXNPET-UHFFFAOYSA-N
XLogP0.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluoro-5-methyl-6-oxopyridazin-1-yl)acetic acid
CID 162727134
2-(4-Fluoro-6-oxopyridazin-1-yl)propanoic acid
CID 162727173
Ethyl 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetate
CID 162727588
Ethyl 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 162727852
ethyl (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 175703301
(2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 175703311
2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
2-(4-Chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid
CID 162727522
2-(4-Chloro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 162727654
3-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548391
(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 107427809

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid (CID 162727474) is 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid is Cc1c(F)cnn(C(C)C(=O)O)c1=O.
What is the InChIKey of 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is KKUDRNVXWXNPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-4-6(9)3-10-11(7(4)12)5(2)8(13)14/h3,5H,1-2H3,(H,13,14).
What are the key properties of 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid?
2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 200.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 162727474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).