4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

C14H11ClN2O — CID 683286

IUPAC4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H11ClN2O/c1-8-9(2)17-14(18)12(7-16)13(8)10-3-5-11(15)6-4-10/h3-6H,1-2H3,(H,17,18)
InChIKeyVWIOHRLAJOYHRA-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.18
Rot. Bonds1

About 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 683286) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID683286
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H11ClN2O/c1-8-9(2)17-14(18)12(7-16)13(8)10-3-5-11(15)6-4-10/h3-6H,1-2H3,(H,17,18)
InChIKeyVWIOHRLAJOYHRA-UHFFFAOYSA-N
XLogP3.18
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 683286) is 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VWIOHRLAJOYHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-9(2)17-14(18)12(7-16)13(8)10-3-5-11(15)6-4-10/h3-6H,1-2H3,(H,17,18).
What are the key properties of 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 683286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).