ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate

C15H15ClN2O3 — CID 100785102

IUPACethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C15H15ClN2O3/c1-3-21-15(20)12-8-10(2)17-18(14(12)19)9-11-6-4-5-7-13(11)16/h4-8H,3,9H2,1-2H3
InChIKeyJQOVUHQDWVGIGG-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.43
Rot. Bonds4

About ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate

ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate (PubChem CID 100785102) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
PubChem CID100785102
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Nameethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C15H15ClN2O3/c1-3-21-15(20)12-8-10(2)17-18(14(12)19)9-11-6-4-5-7-13(11)16/h4-8H,3,9H2,1-2H3
InChIKeyJQOVUHQDWVGIGG-UHFFFAOYSA-N
XLogP2.43
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
CID 100785113
ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate
CID 100785399
ethyl 6-methyl-3-oxo-2-prop-2-enylpyridazine-4-carboxylate
CID 100752742
diethyl 1-[(2-chlorophenyl)methyl]-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarboxylate
CID 71823805
ethyl 2-butyl-6-(2-chlorophenyl)-3-oxopyridazine-4-carboxylate
CID 100785403
ethyl 5-(chloromethyl)-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate
CID 103109438
ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 68812088
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-6-oxopyrimidine-5-carboxylate
CID 7748770
ethyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54737684
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate?
The IUPAC name of ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate (CID 100785102) is ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate is CCOC(=O)c1cc(C)nn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate?
The InChIKey is JQOVUHQDWVGIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-3-21-15(20)12-8-10(2)17-18(14(12)19)9-11-6-4-5-7-13(11)16/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate?
ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate has a molecular weight of 306.75 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 100785102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).