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

C10H12Cl2N2O3 — CID 162727989

IUPACethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate
SMILESCCOC(=O)C(CC)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H12Cl2N2O3/c1-3-7(10(16)17-4-2)14-9(15)8(12)6(11)5-13-14/h5,7H,3-4H2,1-2H3
InChIKeyYEZWMALWBHGWPW-UHFFFAOYSA-N
MW279.12 g/mol
LogP2.06
Rot. Bonds4

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

ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate (PubChem CID 162727989) has the molecular formula C10H12Cl2N2O3 and a molecular weight of 279.12 g/mol. Its IUPAC name is ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate
PubChem CID162727989
Molecular FormulaC10H12Cl2N2O3
Molecular Weight279.12 g/mol
Exact Mass278.02
IUPAC Nameethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate
SMILESCCOC(=O)C(CC)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H12Cl2N2O3/c1-3-7(10(16)17-4-2)14-9(15)8(12)6(11)5-13-14/h5,7H,3-4H2,1-2H3
InChIKeyYEZWMALWBHGWPW-UHFFFAOYSA-N
XLogP2.06
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
Ethyl 3-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)butanoate
CID 70451028
Ethyl 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 162727341
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate
CID 162727608
Ethyl 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoate
CID 162727682
ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 175703305
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate
CID 68431642
Ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate
CID 162727198
Ethyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)propanoate
CID 162727226
Ethyl 2-(3-bromo-4,5-dichloro-6-oxopyridazin-1-yl)propanoate
CID 162727377
2-(4,5-Dichloro-6-oxopyridazin-1-yl)butanoic acid
CID 162727392

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate?
The IUPAC name of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate (CID 162727989) is ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate is CCOC(=O)C(CC)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate?
The InChIKey is YEZWMALWBHGWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3/c1-3-7(10(16)17-4-2)14-9(15)8(12)6(11)5-13-14/h5,7H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate?
ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate has a molecular weight of 279.12 g/mol, XLogP of 2.06, 4 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)butanoate is sourced from PubChem (CID 162727989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).