4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C20H14Cl2N2O2 — CID 168586891

About 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586891) has the molecular formula C20H14Cl2N2O2 and a molecular weight of 385.25 g/mol. Its IUPAC name is 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
• PubChem CID: 168586891
• Molecular Formula: C20H14Cl2N2O2
• Molecular Weight: 385.25 g/mol
• Exact Mass: 384.04
• IUPAC Name: 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
• SMILES: Cc1cc(-c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(C#N)c(=O)[nH]1
• InChI: InChI=1S/C20H14Cl2N2O2/c1-12-8-16(17(10-23)20(25)24-12)14-4-7-19(18(22)9-14)26-11-13-2-5-15(21)6-3-13/h2-9H,11H2,1H3,(H,24,25)
• InChIKey: ADEPGWGVHUIBCY-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 65.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.25
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

The IUPAC name of 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586891) is 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

What is the SMILES notation for 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

The canonical SMILES for 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(C#N)c(=O)[nH]1.

What is the InChIKey of 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

The InChIKey is ADEPGWGVHUIBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2/c1-12-8-16(17(10-23)20(25)24-12)14-4-7-19(18(22)9-14)26-11-13-2-5-15(21)6-3-13/h2-9H,11H2,1H3,(H,24,25).

What are the key properties of 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 385.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).