methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate

C14H10Cl3NO3 — CID 2764860

IUPACmethyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl3NO3/c1-21-14(20)9-4-12(17)13(19)18(7-9)6-8-2-3-10(15)5-11(8)16/h2-5,7H,6H2,1H3
InChIKeyNSRAXJGJUNFYHQ-UHFFFAOYSA-N
MW346.60 g/mol
LogP3.64
Rot. Bonds3

About methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate

methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate (PubChem CID 2764860) has the molecular formula C14H10Cl3NO3 and a molecular weight of 346.60 g/mol. Its IUPAC name is methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate
PubChem CID2764860
Molecular FormulaC14H10Cl3NO3
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Namemethyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl3NO3/c1-21-14(20)9-4-12(17)13(19)18(7-9)6-8-2-3-10(15)5-11(8)16/h2-5,7H,6H2,1H3
InChIKeyNSRAXJGJUNFYHQ-UHFFFAOYSA-N
XLogP3.64
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate with MolForge

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Related Compounds

methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 1485992
methyl 5-chloro-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
CID 18526237
methyl 5-chloro-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylate
CID 178166126
methyl 3-chloro-4-(pyrrolidin-1-ylmethyl)benzoate
CID 21182738
methyl 3-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43217500
dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate
CID 4810799
methyl 4-[(E)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 124664489
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682249
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1449795

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate (CID 2764860) is methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate is COC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is NSRAXJGJUNFYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3/c1-21-14(20)9-4-12(17)13(19)18(7-9)6-8-2-3-10(15)5-11(8)16/h2-5,7H,6H2,1H3.
What are the key properties of methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate has a molecular weight of 346.60 g/mol, XLogP of 3.64, 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-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 2764860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).