methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate

C17H12ClN3O3 — CID 135303887

IUPACmethyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C17H12ClN3O3/c1-24-17(23)14-9-15(11-4-6-12(18)7-5-11)20-21(16(14)22)13-3-2-8-19-10-13/h2-10H,1H3
InChIKeyQPIKUJCMQHXIIH-UHFFFAOYSA-N
MW341.75 g/mol
LogP2.73
Rot. Bonds3

About methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate

methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate (PubChem CID 135303887) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate
PubChem CID135303887
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Namemethyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C17H12ClN3O3/c1-24-17(23)14-9-15(11-4-6-12(18)7-5-11)20-21(16(14)22)13-3-2-8-19-10-13/h2-10H,1H3
InChIKeyQPIKUJCMQHXIIH-UHFFFAOYSA-N
XLogP2.73
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate?
The IUPAC name of methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate (CID 135303887) is methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate.
What is the SMILES notation for methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate?
The canonical SMILES for methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate?
The InChIKey is QPIKUJCMQHXIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c1-24-17(23)14-9-15(11-4-6-12(18)7-5-11)20-21(16(14)22)13-3-2-8-19-10-13/h2-10H,1H3.
What are the key properties of methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate?
methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate has a molecular weight of 341.75 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate is sourced from PubChem (CID 135303887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).