5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

C14H11ClN2O — CID 70695095

IUPAC5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Cc2ccccc2Cl)cc1C#N
InChIInChI=1S/C14H11ClN2O/c1-9-12(8-16)7-11(14(18)17-9)6-10-4-2-3-5-13(10)15/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyOYWPTVNYFNUNJM-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.80
Rot. Bonds2

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

5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70695095) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID70695095
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Cc2ccccc2Cl)cc1C#N
InChIInChI=1S/C14H11ClN2O/c1-9-12(8-16)7-11(14(18)17-9)6-10-4-2-3-5-13(10)15/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyOYWPTVNYFNUNJM-UHFFFAOYSA-N
XLogP2.80
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (CID 70695095) is 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(Cc2ccccc2Cl)cc1C#N.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is OYWPTVNYFNUNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-9-12(8-16)7-11(14(18)17-9)6-10-4-2-3-5-13(10)15/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70695095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).