methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate

C12H9ClN2O3 — CID 2764302

IUPACmethyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C12H9ClN2O3/c1-18-12(17)11-10(16)6-7-15(14-11)9-4-2-8(13)3-5-9/h2-7H,1H3
InChIKeyLWGCZWMMGXWUQW-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.67
Rot. Bonds2

About methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate

methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate (PubChem CID 2764302) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
PubChem CID2764302
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Namemethyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C12H9ClN2O3/c1-18-12(17)11-10(16)6-7-15(14-11)9-4-2-8(13)3-5-9/h2-7H,1H3
InChIKeyLWGCZWMMGXWUQW-UHFFFAOYSA-N
XLogP1.67
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953640
methyl 1-(4-fluoro-3-nitrophenyl)-4-oxopyridazine-3-carboxylate
CID 63981311
1-(4-chlorophenyl)-3-[(E)-3-(methylamino)prop-2-enoyl]pyridazin-4-one
CID 58072484
1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7709813
methyl 1-(3-methyl-4-nitrophenyl)-4-oxopyridazine-3-carboxylate
CID 63982812
N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide
CID 2745061
methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63981532
methyl 1-(2-bromophenyl)-4-oxopyridazine-3-carboxylate
CID 63952034
methyl 1-(3-fluoro-5-nitrophenyl)-4-oxopyridazine-3-carboxylate
CID 107335673
dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate
CID 175044351
methyl 1-(3-chloro-4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
CID 705932
methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 63953235

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate (CID 2764302) is methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate is COC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate?
The InChIKey is LWGCZWMMGXWUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-18-12(17)11-10(16)6-7-15(14-11)9-4-2-8(13)3-5-9/h2-7H,1H3.
What are the key properties of methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate?
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate has a molecular weight of 264.67 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 2764302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).