2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid

C7H5Cl2FN2O3 — CID 162727574

IUPAC2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nc(F)c(Cl)c(Cl)c1=O
InChIInChI=1S/C7H5Cl2FN2O3/c1-2(7(14)15)12-6(13)4(9)3(8)5(10)11-12/h2H,1H3,(H,14,15)
InChIKeyFREQRRBHFLELSH-UHFFFAOYSA-N
MW255.03 g/mol
LogP1.33
Rot. Bonds2

About 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid

2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 162727574) has the molecular formula C7H5Cl2FN2O3 and a molecular weight of 255.03 g/mol. Its IUPAC name is 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid
PubChem CID162727574
Molecular FormulaC7H5Cl2FN2O3
Molecular Weight255.03 g/mol
Exact Mass253.97
IUPAC Name2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nc(F)c(Cl)c(Cl)c1=O
InChIInChI=1S/C7H5Cl2FN2O3/c1-2(7(14)15)12-6(13)4(9)3(8)5(10)11-12/h2H,1H3,(H,14,15)
InChIKeyFREQRRBHFLELSH-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-Dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid
CID 162727181
Ethyl 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoate
CID 162727682
2-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid
CID 162728183
2-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 13881557
2-(4,5-Dichloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727264
2-(4,5-Dichloro-6-oxopyridazin-1-yl)butanoic acid
CID 162727392
(2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727407
(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727494
2-(3,4-Dichloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727542
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727573
(2S)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727976
(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid
CID 175703316

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid (CID 162727574) is 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid is CC(C(=O)O)n1nc(F)c(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is FREQRRBHFLELSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FN2O3/c1-2(7(14)15)12-6(13)4(9)3(8)5(10)11-12/h2H,1H3,(H,14,15).
What are the key properties of 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid?
2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 255.03 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 162727574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).