5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

C14H10Cl2N2O — CID 70695096

IUPAC5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Cc2ccc(Cl)cc2Cl)cc1C#N
InChIInChI=1S/C14H10Cl2N2O/c1-8-11(7-17)5-10(14(19)18-8)4-9-2-3-12(15)6-13(9)16/h2-3,5-6H,4H2,1H3,(H,18,19)
InChIKeyVUVPTOUJAZYNDM-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.45
Rot. Bonds2

About 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70695096) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID70695096
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Cc2ccc(Cl)cc2Cl)cc1C#N
InChIInChI=1S/C14H10Cl2N2O/c1-8-11(7-17)5-10(14(19)18-8)4-9-2-3-12(15)6-13(9)16/h2-3,5-6H,4H2,1H3,(H,18,19)
InChIKeyVUVPTOUJAZYNDM-UHFFFAOYSA-N
XLogP3.45
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (CID 70695096) is 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(Cc2ccc(Cl)cc2Cl)cc1C#N.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VUVPTOUJAZYNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-8-11(7-17)5-10(14(19)18-8)4-9-2-3-12(15)6-13(9)16/h2-3,5-6H,4H2,1H3,(H,18,19).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 293.15 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70695096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).