ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate

C9H11ClN2O3 — CID 162727198

IUPACethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(Cl)c(C)c1=O
InChIInChI=1S/C9H11ClN2O3/c1-3-15-8(13)5-12-9(14)6(2)7(10)4-11-12/h4H,3,5H2,1-2H3
InChIKeyBZQZGFYLXSFNID-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.77
Rot. Bonds3

About ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate

ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate (PubChem CID 162727198) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate
PubChem CID162727198
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Nameethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(Cl)c(C)c1=O
InChIInChI=1S/C9H11ClN2O3/c1-3-15-8(13)5-12-9(14)6(2)7(10)4-11-12/h4H,3,5H2,1-2H3
InChIKeyBZQZGFYLXSFNID-UHFFFAOYSA-N
XLogP0.77
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate (CID 162727198) is ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate is CCOC(=O)Cn1ncc(Cl)c(C)c1=O.
What is the InChIKey of ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate?
The InChIKey is BZQZGFYLXSFNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-3-15-8(13)5-12-9(14)6(2)7(10)4-11-12/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate?
ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate has a molecular weight of 230.65 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 162727198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).