methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate

C13H9Cl2NO3 — CID 133092788

IUPACmethyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H9Cl2NO3/c1-19-13(18)11-5-4-9(12(17)16-11)8-3-2-7(14)6-10(8)15/h2-6H,1H3,(H,16,17)
InChIKeyUNEAWMJUPDHHFD-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.14
Rot. Bonds2

About methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate

methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate (PubChem CID 133092788) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
PubChem CID133092788
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Namemethyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H9Cl2NO3/c1-19-13(18)11-5-4-9(12(17)16-11)8-3-2-7(14)6-10(8)15/h2-6H,1H3,(H,16,17)
InChIKeyUNEAWMJUPDHHFD-UHFFFAOYSA-N
XLogP3.14
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
methyl 6-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-carboxylate
CID 133091429
methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093032
methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate
CID 68841187
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
methyl 8-chloro-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517685
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
methyl 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 130097203
methyl 5,6-difluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 53429425
methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 63376397
methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
CID 15274283

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate (CID 133092788) is methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate is COC(=O)c1ccc(-c2ccc(Cl)cc2Cl)c(=O)[nH]1.
What is the InChIKey of methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is UNEAWMJUPDHHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-19-13(18)11-5-4-9(12(17)16-11)8-3-2-7(14)6-10(8)15/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate has a molecular weight of 298.13 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 133092788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).