methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate

C13H9Cl2NO3 — CID 133092961

IUPACmethyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1[nH]c(=O)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO3/c1-19-13(18)12-8(5-6-10(17)16-12)7-3-2-4-9(14)11(7)15/h2-6H,1H3,(H,16,17)
InChIKeyQCIBXSYGMLFHCK-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.14
Rot. Bonds2

About methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate

methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate (PubChem CID 133092961) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
PubChem CID133092961
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Namemethyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1[nH]c(=O)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO3/c1-19-13(18)12-8(5-6-10(17)16-12)7-3-2-4-9(14)11(7)15/h2-6H,1H3,(H,16,17)
InChIKeyQCIBXSYGMLFHCK-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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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate (CID 133092961) is methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate is COC(=O)c1[nH]c(=O)ccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is QCIBXSYGMLFHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-19-13(18)12-8(5-6-10(17)16-12)7-3-2-4-9(14)11(7)15/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
methyl 3-(2,3-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 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 133092961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).