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

C15H12Cl2N2O — CID 3555443

IUPAC5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c1-8-12(9(2)19-15(20)13(8)7-18)5-10-3-4-11(16)6-14(10)17/h3-4,6H,5H2,1-2H3,(H,19,20)
InChIKeyHLAWLTIZZHWOLT-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.76
Rot. Bonds2

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

5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 3555443) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID3555443
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c1-8-12(9(2)19-15(20)13(8)7-18)5-10-3-4-11(16)6-14(10)17/h3-4,6H,5H2,1-2H3,(H,19,20)
InChIKeyHLAWLTIZZHWOLT-UHFFFAOYSA-N
XLogP3.76
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.76
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]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 3555443) is 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C)c1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HLAWLTIZZHWOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-8-12(9(2)19-15(20)13(8)7-18)5-10-3-4-11(16)6-14(10)17/h3-4,6H,5H2,1-2H3,(H,19,20).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 307.18 g/mol, XLogP of 3.76, 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]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 3555443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).