2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid

C6H3Cl2FN2O3 — CID 162727181

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H3Cl2FN2O3/c7-2-1-10-11(4(9)6(13)14)5(12)3(2)8/h1,4H,(H,13,14)
InChIKeyWATNFRIKYNKYRX-UHFFFAOYSA-N
MW241.00 g/mol
LogP1.10
Rot. Bonds2

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid

2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid (PubChem CID 162727181) has the molecular formula C6H3Cl2FN2O3 and a molecular weight of 241.00 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid
PubChem CID162727181
Molecular FormulaC6H3Cl2FN2O3
Molecular Weight241.00 g/mol
Exact Mass239.95
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H3Cl2FN2O3/c7-2-1-10-11(4(9)6(13)14)5(12)3(2)8/h1,4H,(H,13,14)
InChIKeyWATNFRIKYNKYRX-UHFFFAOYSA-N
XLogP1.10
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.00
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)acetate
CID 2317066
2-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride
CID 88672387
2-(4,5-Dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoic acid
CID 162727574
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate
CID 162727608
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
(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727494
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727573
2-(4-Chloro-6-oxopyridazin-1-yl)acetic acid
CID 162727631
2-(5-Chloro-6-oxopyridazin-1-yl)acetic acid
CID 169128788
2-(5-Chloro-4-hydroxy-6-oxopyridazin-1-yl)acetic acid
CID 84075918

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid (CID 162727181) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid is O=C(O)C(F)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid?
The InChIKey is WATNFRIKYNKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FN2O3/c7-2-1-10-11(4(9)6(13)14)5(12)3(2)8/h1,4H,(H,13,14).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid has a molecular weight of 241.00 g/mol, XLogP of 1.10, 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-6-oxopyridazin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 162727181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).