methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate

C7H6Cl2N2O3 — CID 2317066

IUPACmethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O3/c1-14-5(12)3-11-7(13)6(9)4(8)2-10-11/h2H,3H2,1H3
InChIKeyHBGVZDVAYGBZDP-UHFFFAOYSA-N
MW237.04 g/mol
LogP0.72
Rot. Bonds2

About methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate

methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate (PubChem CID 2317066) has the molecular formula C7H6Cl2N2O3 and a molecular weight of 237.04 g/mol. Its IUPAC name is methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate
PubChem CID2317066
Molecular FormulaC7H6Cl2N2O3
Molecular Weight237.04 g/mol
Exact Mass235.98
IUPAC Namemethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O3/c1-14-5(12)3-11-7(13)6(9)4(8)2-10-11/h2H,3H2,1H3
InChIKeyHBGVZDVAYGBZDP-UHFFFAOYSA-N
XLogP0.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate?
The IUPAC name of methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate (CID 2317066) is methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate is COC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate?
The InChIKey is HBGVZDVAYGBZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O3/c1-14-5(12)3-11-7(13)6(9)4(8)2-10-11/h2H,3H2,1H3.
What are the key properties of methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate?
methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate has a molecular weight of 237.04 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 2317066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).