ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate

C13H10Cl2N2O2 — CID 121205199

IUPACethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Cl)c2)nnc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-2-19-13(18)10-7-11(16-17-12(10)15)8-4-3-5-9(14)6-8/h3-7H,2H2,1H3
InChIKeyQENQQKJVIJBGOG-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.63
Rot. Bonds3

About ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate

ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate (PubChem CID 121205199) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
PubChem CID121205199
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Nameethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Cl)c2)nnc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-2-19-13(18)10-7-11(16-17-12(10)15)8-4-3-5-9(14)6-8/h3-7H,2H2,1H3
InChIKeyQENQQKJVIJBGOG-UHFFFAOYSA-N
XLogP3.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate?
The IUPAC name of ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate (CID 121205199) is ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate is CCOC(=O)c1cc(-c2cccc(Cl)c2)nnc1Cl.
What is the InChIKey of ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate?
The InChIKey is QENQQKJVIJBGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-2-19-13(18)10-7-11(16-17-12(10)15)8-4-3-5-9(14)6-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate?
ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate has a molecular weight of 297.14 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate is sourced from PubChem (CID 121205199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).