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

C13H10ClNO3 — CID 125488729

IUPACmethyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C13H10ClNO3/c1-18-13(17)11-7-6-10(12(16)15-11)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeySRNXKRIXEUGIRX-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.48
Rot. Bonds2

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

methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate (PubChem CID 125488729) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
PubChem CID125488729
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Namemethyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C13H10ClNO3/c1-18-13(17)11-7-6-10(12(16)15-11)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeySRNXKRIXEUGIRX-UHFFFAOYSA-N
XLogP2.48
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate (CID 125488729) is methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate is COC(=O)c1ccc(-c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is SRNXKRIXEUGIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-18-13(17)11-7-6-10(12(16)15-11)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate?
methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate has a molecular weight of 263.68 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 125488729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).