ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate

C14H15ClN2O3 — CID 6624390

IUPACethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
SMILESCCOC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C14H15ClN2O3/c1-2-20-14(19)9-17-13(18)8-7-12(16-17)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeySROUTRLVNQSTFP-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.23
Rot. Bonds4

About ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate

ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate (PubChem CID 6624390) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
PubChem CID6624390
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
SMILESCCOC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C14H15ClN2O3/c1-2-20-14(19)9-17-13(18)8-7-12(16-17)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeySROUTRLVNQSTFP-UHFFFAOYSA-N
XLogP2.23
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate (CID 6624390) is ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate is CCOC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O.
What is the InChIKey of ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
The InChIKey is SROUTRLVNQSTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-2-20-14(19)9-17-13(18)8-7-12(16-17)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate?
ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate has a molecular weight of 294.74 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate is sourced from PubChem (CID 6624390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).