6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

C17H10Cl2N2OS — CID 19656656

About 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656656) has the molecular formula C17H10Cl2N2OS and a molecular weight of 361.25 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
• PubChem CID: 19656656
• Molecular Formula: C17H10Cl2N2OS
• Molecular Weight: 361.25 g/mol
• Exact Mass: 359.99
• IUPAC Name: 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
• SMILES: Cc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2C#N)s1
• InChI: InChI=1S/C17H10Cl2N2OS/c1-9-2-5-16(23-9)11-7-15(21-17(22)12(11)8-20)10-3-4-13(18)14(19)6-10/h2-7H,1H3,(H,21,22)
• InChIKey: JNUWKIHWJSRJSR-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 56.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	361.25
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?

The IUPAC name of 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656656) is 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

What is the SMILES notation for 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?

The canonical SMILES for 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2C#N)s1.

What is the InChIKey of 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?

The InChIKey is JNUWKIHWJSRJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2OS/c1-9-2-5-16(23-9)11-7-15(21-17(22)12(11)8-20)10-3-4-13(18)14(19)6-10/h2-7H,1H3,(H,21,22).

What are the key properties of 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?

6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 361.25 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).