methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate

C13H10Cl2N2O2 — CID 15274283

IUPACmethyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-5-11(13(18)19-2)16-17-12(7)9-4-3-8(14)6-10(9)15/h3-6H,1-2H3
InChIKeyKQMYMPGZHAOKHI-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.55
Rot. Bonds2

About methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate

methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate (PubChem CID 15274283) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
PubChem CID15274283
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Namemethyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-5-11(13(18)19-2)16-17-12(7)9-4-3-8(14)6-10(9)15/h3-6H,1-2H3
InChIKeyKQMYMPGZHAOKHI-UHFFFAOYSA-N
XLogP3.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
methyl 6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazine-3-carboxylate
CID 178140786
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
CID 133087385
methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602
methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093032
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate
CID 142574271
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate (CID 15274283) is methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate is COC(=O)c1cc(C)c(-c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate?
The InChIKey is KQMYMPGZHAOKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-7-5-11(13(18)19-2)16-17-12(7)9-4-3-8(14)6-10(9)15/h3-6H,1-2H3.
What are the key properties of methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate?
methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate has a molecular weight of 297.14 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate is sourced from PubChem (CID 15274283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).