ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate

C9H10Cl2N2O3 — CID 162727776

IUPACethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)C(C)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N2O3/c1-3-16-9(15)5(2)13-8(14)7(11)6(10)4-12-13/h4-5H,3H2,1-2H3
InChIKeyLGKYHXFZAFOOCP-UHFFFAOYSA-N
MW265.10 g/mol
LogP1.67
Rot. Bonds3

About ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate

ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate (PubChem CID 162727776) has the molecular formula C9H10Cl2N2O3 and a molecular weight of 265.10 g/mol. Its IUPAC name is ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate
PubChem CID162727776
Molecular FormulaC9H10Cl2N2O3
Molecular Weight265.10 g/mol
Exact Mass264.01
IUPAC Nameethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)C(C)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N2O3/c1-3-16-9(15)5(2)13-8(14)7(11)6(10)4-12-13/h4-5H,3H2,1-2H3
InChIKeyLGKYHXFZAFOOCP-UHFFFAOYSA-N
XLogP1.67
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate (CID 162727776) is ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate is CCOC(=O)C(C)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate?
The InChIKey is LGKYHXFZAFOOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3/c1-3-16-9(15)5(2)13-8(14)7(11)6(10)4-12-13/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate?
ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate has a molecular weight of 265.10 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 162727776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).