methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate

C14H11Cl2NO3 — CID 1485992

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

About methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate

methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate (PubChem CID 1485992) 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]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
PubChem CID1485992
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Namemethyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H11Cl2NO3/c1-20-14(19)10-6-12(16)13(18)17(8-10)7-9-2-4-11(15)5-3-9/h2-6,8H,7H2,1H3
InChIKeyAXODGVODIJPRIV-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

Analyze methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-chloro-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
CID 18526237
methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 2764860
5-chloro-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1486006
methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
CID 69345221
methyl 5-chloro-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylate
CID 178166126
methyl 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxopyridine-3-carboxylate
CID 170422246
5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 2764356
5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1482997
1-(bromomethyl)-4-fluorobenzene;methyl 5-bromo-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylate;methyl 5-bromo-6-oxo-1H-pyridine-3-carboxylate
CID 157164984
methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 10638143
methyl 3-[[1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]thiophene-2-carboxylate
CID 1482953
methyl 4-[(1S)-1-[[1-[(4-chlorophenyl)methyl]-4-methylpyrrole-2-carbonyl]amino]ethyl]benzoate
CID 70804804

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate (CID 1485992) is methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate is COC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is AXODGVODIJPRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-20-14(19)10-6-12(16)13(18)17(8-10)7-9-2-4-11(15)5-3-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-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]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 1485992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).