1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C23H17Cl3N2O4 — CID 19118499

About 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19118499) has the molecular formula C23H17Cl3N2O4 and a molecular weight of 491.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
• PubChem CID: 19118499
• Molecular Formula: C23H17Cl3N2O4
• Molecular Weight: 491.76 g/mol
• Exact Mass: 490.03
• IUPAC Name: 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
• SMILES: Cc1c(C(=O)C(C)Oc2ccc(Cl)cc2Cl)c(O)n(Cc2ccccc2Cl)c(=O)c1C#N
• InChI: InChI=1S/C23H17Cl3N2O4/c1-12-16(10-27)22(30)28(11-14-5-3-4-6-17(14)25)23(31)20(12)21(29)13(2)32-19-8-7-15(24)9-18(19)26/h3-9,13,31H,11H2,1-2H3
• InChIKey: CATXMMACNBFDJN-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.76
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19118499) is 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)C(C)Oc2ccc(Cl)cc2Cl)c(O)n(Cc2ccccc2Cl)c(=O)c1C#N.

What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The InChIKey is CATXMMACNBFDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O4/c1-12-16(10-27)22(30)28(11-14-5-3-4-6-17(14)25)23(31)20(12)21(29)13(2)32-19-8-7-15(24)9-18(19)26/h3-9,13,31H,11H2,1-2H3.

What are the key properties of 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 491.76 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl]-5-[2-(2,4-dichlorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19118499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).