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

C15H14ClNO4 — CID 71654903

IUPACethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(Cc2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C15H14ClNO4/c1-2-21-15(20)13-12(18)8-11(17-14(13)19)7-9-3-5-10(16)6-4-9/h3-6,8H,2,7H2,1H3,(H2,17,18,19)
InChIKeyDFTPFDPWPFGSAO-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.50
Rot. Bonds4

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

ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 71654903) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID71654903
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Nameethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(Cc2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C15H14ClNO4/c1-2-21-15(20)13-12(18)8-11(17-14(13)19)7-9-3-5-10(16)6-4-9/h3-6,8H,2,7H2,1H3,(H2,17,18,19)
InChIKeyDFTPFDPWPFGSAO-UHFFFAOYSA-N
XLogP2.50
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.50
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
(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 1799228
ethyl 6-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 71654902
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
Methyl 4-(4-chlorophenyl)-2-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 129839117
1-(2,4-Dichlorobenzylidene)-6-methyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 1799226
ethyl (5Z)-5-[(3-chlorophenyl)methylidene]-4-hydroxy-2-oxopyrrole-3-carboxylate
CID 54706230
6-(4-Chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 4715294
ethyl 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 12169822
ethyl 6-(4-chlorophenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 12169825
5-(4-chlorophenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 19918404

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (CID 71654903) is ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(O)cc(Cc2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is DFTPFDPWPFGSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-2-21-15(20)13-12(18)8-11(17-14(13)19)7-9-3-5-10(16)6-4-9/h3-6,8H,2,7H2,1H3,(H2,17,18,19).
What are the key properties of ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 307.73 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 71654903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).