methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate

C13H9Cl2NO3 — CID 133093032

IUPACmethyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)c[nH]c1=O
InChIInChI=1S/C13H9Cl2NO3/c1-19-13(18)10-4-7(6-16-12(10)17)9-3-2-8(14)5-11(9)15/h2-6H,1H3,(H,16,17)
InChIKeyXWKXCQBWRLEXAB-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.14
Rot. Bonds2

About methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate

methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 133093032) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID133093032
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Namemethyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)c[nH]c1=O
InChIInChI=1S/C13H9Cl2NO3/c1-19-13(18)10-4-7(6-16-12(10)17)9-3-2-8(14)5-11(9)15/h2-6H,1H3,(H,16,17)
InChIKeyXWKXCQBWRLEXAB-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-oxo-5-(2,4,5-trichlorophenyl)-1H-pyridine-3-carboxylate
CID 133091433
ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093124
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
methyl 5-chloro-2-isocyanobenzoate
CID 2769510
2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133093069
methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate
CID 68841187
methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
CID 15274283
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 133093059
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 133093032) is methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2Cl)c[nH]c1=O.
What is the InChIKey of methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is XWKXCQBWRLEXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-19-13(18)10-4-7(6-16-12(10)17)9-3-2-8(14)5-11(9)15/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-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)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 133093032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).