2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid

C6H4ClFN2O3 — CID 162728183

IUPAC2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(F)c(Cl)c1=O
InChIInChI=1S/C6H4ClFN2O3/c7-5-3(8)1-9-10(6(5)13)2-4(11)12/h1H,2H2,(H,11,12)
InChIKeyZHHDSUOKLULTFM-UHFFFAOYSA-N
MW206.56 g/mol
LogP0.12
Rot. Bonds2

About 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid

2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid (PubChem CID 162728183) has the molecular formula C6H4ClFN2O3 and a molecular weight of 206.56 g/mol. Its IUPAC name is 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid
PubChem CID162728183
Molecular FormulaC6H4ClFN2O3
Molecular Weight206.56 g/mol
Exact Mass205.99
IUPAC Name2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(F)c(Cl)c1=O
InChIInChI=1S/C6H4ClFN2O3/c7-5-3(8)1-9-10(6(5)13)2-4(11)12/h1H,2H2,(H,11,12)
InChIKeyZHHDSUOKLULTFM-UHFFFAOYSA-N
XLogP0.12
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.56
LogP ≤ 50.12
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
Ethyl 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetate
CID 70449857
2-(4,5-Dichloro-6-oxopyridazin-1-yl)-2-fluoroacetic acid
CID 162727181
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-[4-Chloro-5-(difluoromethyl)-6-oxopyridazin-1-yl]acetic acid
CID 162727688
2-(4-Fluoro-6-oxopyridazin-1-yl)acetic acid
CID 162728034
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
2-(4-Chloro-5-methyl-6-oxopyridazin-1-yl)acetic acid
CID 162727522
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727573

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid (CID 162728183) is 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid is O=C(O)Cn1ncc(F)c(Cl)c1=O.
What is the InChIKey of 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is ZHHDSUOKLULTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O3/c7-5-3(8)1-9-10(6(5)13)2-4(11)12/h1H,2H2,(H,11,12).
What are the key properties of 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid?
2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 206.56 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 162728183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).