methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate

C14H11Cl2NO3 — CID 1485982

IUPACmethyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H11Cl2NO3/c1-20-14(19)12-6-11(16)8-17(13(12)18)7-9-2-4-10(15)5-3-9/h2-6,8H,7H2,1H3
InChIKeyYZOAQLUGOCIWRR-UHFFFAOYSA-N
MW312.15 g/mol
LogP2.99
Rot. Bonds3

About methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate

methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate (PubChem CID 1485982) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
PubChem CID1485982
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Namemethyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H11Cl2NO3/c1-20-14(19)12-6-11(16)8-17(13(12)18)7-9-2-4-10(15)5-3-9/h2-6,8H,7H2,1H3
InChIKeyYZOAQLUGOCIWRR-UHFFFAOYSA-N
XLogP2.99
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxylate
CID 1486007
5-(4-chlorobenzyl)-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70694387
1-(3,4-Dichlorobenzyl)-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid
CID 2764018
Methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate
CID 2809326
5-(2,4-Dichlorobenzyl)-1,1-dimethyl-1h,5H-furo[3,4-c]pyridine-3,4-dione
CID 70683878
5-[2-(4-chlorophenyl)ethyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70690175
5-[2-(4-Chlorophenyl)ethyl]-1-methyl-1-(2-methylpropyl)furo[3,4-c]pyridine-3,4-dione
CID 71602431
1-(2-Chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 2763480
5-Chloro-1-(2,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 2764481
1-(2-Chlorobenzyl)-3-carboxy-4,6-dimethylpyrid-2-one
CID 20316353
1-(2-Chloro-6-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 1482984
Methyl 5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
CID 1485978

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate (CID 1485982) is methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate is COC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The InChIKey is YZOAQLUGOCIWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-20-14(19)12-6-11(16)8-17(13(12)18)7-9-2-4-10(15)5-3-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate has a molecular weight of 312.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 1485982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).