6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C20H14Cl2N2O3 — CID 19657202

IUPAC6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2C#N)c(OC)c1
InChIInChI=1S/C20H14Cl2N2O3/c1-26-12-4-5-13(19(8-12)27-2)14-9-18(24-20(25)15(14)10-23)11-3-6-16(21)17(22)7-11/h3-9H,1-2H3,(H,24,25)
InChIKeyVBGJDKSULMNLCJ-UHFFFAOYSA-N
MW401.25 g/mol
LogP4.90
Rot. Bonds4

About 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19657202) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19657202
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC Name6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2C#N)c(OC)c1
InChIInChI=1S/C20H14Cl2N2O3/c1-26-12-4-5-13(19(8-12)27-2)14-9-18(24-20(25)15(14)10-23)11-3-6-16(21)17(22)7-11/h3-9H,1-2H3,(H,24,25)
InChIKeyVBGJDKSULMNLCJ-UHFFFAOYSA-N
XLogP4.90
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 1475472
6-(3,4-dichlorophenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
CID 19656829
6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656656
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 11493199
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657039
4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657125
6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
CID 724369
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 82446214
4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656683
4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585799

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19657202) is 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2C#N)c(OC)c1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VBGJDKSULMNLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c1-26-12-4-5-13(19(8-12)27-2)14-9-18(24-20(25)15(14)10-23)11-3-6-16(21)17(22)7-11/h3-9H,1-2H3,(H,24,25).
What are the key properties of 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 401.25 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-4-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19657202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).