methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate

C18H13ClN2O4 — CID 1478566

IUPACmethyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O4/c1-24-18(23)17-15(25-14-9-7-12(19)8-10-14)11-16(22)21(20-17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeySUXMGTINYGEJCY-UHFFFAOYSA-N
MW356.77 g/mol
LogP3.46
Rot. Bonds4

About methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate

methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 1478566) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID1478566
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC Namemethyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O4/c1-24-18(23)17-15(25-14-9-7-12(19)8-10-14)11-16(22)21(20-17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeySUXMGTINYGEJCY-UHFFFAOYSA-N
XLogP3.46
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 1473648
CID 1473648
CID 2763735
CID 2763735
CID 3785886
CID 3785886
CID 8557296
CID 8557296
CID 44419727
CID 44419727
CID 54696635
CID 54696635
CID 3772211
CID 3772211
CID 1478572
CID 1478572
CID 1473644
CID 1473644
CID 16839593
CID 16839593
CID 18197893
CID 18197893
CID 18579711
CID 18579711

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate (CID 1478566) is methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate is COC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccc(Cl)cc1.
What is the InChIKey of methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is SUXMGTINYGEJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c1-24-18(23)17-15(25-14-9-7-12(19)8-10-14)11-16(22)21(20-17)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate?
methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 356.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenoxy)-6-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 1478566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).