methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate

C12H9ClN2O3 — CID 142411116

IUPACmethyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C12H9ClN2O3/c1-18-12(17)9-6-10(14-15-11(9)16)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,15,16)
InChIKeyRFWGMIWHCNBIFU-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.88
Rot. Bonds2

About methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate

methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate (PubChem CID 142411116) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
PubChem CID142411116
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Namemethyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C12H9ClN2O3/c1-18-12(17)9-6-10(14-15-11(9)16)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,15,16)
InChIKeyRFWGMIWHCNBIFU-UHFFFAOYSA-N
XLogP1.88
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate?
The IUPAC name of methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate (CID 142411116) is methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O.
What is the InChIKey of methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate?
The InChIKey is RFWGMIWHCNBIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-18-12(17)9-6-10(14-15-11(9)16)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,15,16).
What are the key properties of methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate?
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate has a molecular weight of 264.67 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate is sourced from PubChem (CID 142411116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).