ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C15H14ClNO4 — CID 110272903

IUPACethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(-c2ccccc2Cl)c1O
InChIInChI=1S/C15H14ClNO4/c1-3-21-15(20)11-8(2)17-14(19)12(13(11)18)9-6-4-5-7-10(9)16/h4-7H,3H2,1-2H3,(H2,17,18,19)
InChIKeyWVTIBFQYIOUSPE-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.89
Rot. Bonds3

About ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 110272903) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID110272903
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Nameethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(-c2ccccc2Cl)c1O
InChIInChI=1S/C15H14ClNO4/c1-3-21-15(20)11-8(2)17-14(19)12(13(11)18)9-6-4-5-7-10(9)16/h4-7H,3H2,1-2H3,(H2,17,18,19)
InChIKeyWVTIBFQYIOUSPE-UHFFFAOYSA-N
XLogP2.89
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[(3-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70684576
methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688820
ethyl 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70697129
ethyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688818
ethyl 5-[(4-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70690899
Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1,6-dihydropyridine-3-carboxylate
CID 54688712
4-Hydroxy-6-methyl-3-(2-chlorophenyl)-2(1H)-pyridinone
CID 54719903
3-Benzyl-5-ethoxycarbonyl-4-hydroxy-6-methyLpyridin-2(1H)-on
CID 54705933
methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 134913839
2-(2-chlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
CID 54395171
ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 70608666
ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 71654903

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 110272903) is ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)[nH]c(=O)c(-c2ccccc2Cl)c1O.
What is the InChIKey of ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is WVTIBFQYIOUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-3-21-15(20)11-8(2)17-14(19)12(13(11)18)9-6-4-5-7-10(9)16/h4-7H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 307.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-chlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 110272903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).