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Ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate

C14H13ClN2O2 — CID 121205187

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2C)nnc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-3-19-14(18)11-8-12(16-17-13(11)15)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3
InChIKeyMDIBJRZSBPEUEK-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.28
Rot. Bonds3

About Ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate

Ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate (PubChem CID 121205187) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate.

Molecular Properties

Compound NameEthyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate
PubChem CID121205187
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Nameethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2C)nnc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-3-19-14(18)11-8-12(16-17-13(11)15)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3
InChIKeyMDIBJRZSBPEUEK-UHFFFAOYSA-N
XLogP3.28
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.28
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-(2-methylphenyl)pyridazine-4-carboxylate?
The IUPAC name of Ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate (CID 121205187) is ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate.
What is the SMILES notation for Ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate?
The canonical SMILES for Ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2C)nnc1Cl.
What is the InChIKey of Ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate?
The InChIKey is MDIBJRZSBPEUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-3-19-14(18)11-8-12(16-17-13(11)15)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3.
What are the key properties of Ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate?
Ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate has a molecular weight of 276.72 g/mol, XLogP of 3.28, 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-(2-methylphenyl)pyridazine-4-carboxylate is sourced from PubChem (CID 121205187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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