methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

C13H10ClNO4 — CID 54692480

IUPACmethyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C13H10ClNO4/c1-19-13(18)11-10(16)6-9(15-12(11)17)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,16,17)
InChIKeyLNUBAZPCGMMESE-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.19
Rot. Bonds2

About methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 54692480) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID54692480
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Namemethyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C13H10ClNO4/c1-19-13(18)11-10(16)6-9(15-12(11)17)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,16,17)
InChIKeyLNUBAZPCGMMESE-UHFFFAOYSA-N
XLogP2.19
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281772
6-(2-Chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 11776853
6-(3-Chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 10264093
methyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11402552
2-(4-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 4674347
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 11523218
ethyl 4-(2-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 12104695
ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 11964367
Methyl 4-(4-chlorophenyl)-2-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 129839117
6-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 61658773
6-(2-chloro-4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 64334512
Methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
CID 4248039

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (CID 54692480) is methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c(O)cc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is LNUBAZPCGMMESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-19-13(18)11-10(16)6-9(15-12(11)17)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,16,17).
What are the key properties of methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 279.68 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54692480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).