4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

C15H12ClN3 — CID 2765533

IUPAC4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(Cl)cc2)C(C#N)=C(C)N1
InChIInChI=1S/C15H12ClN3/c1-9-13(7-17)15(14(8-18)10(2)19-9)11-3-5-12(16)6-4-11/h3-6,15,19H,1-2H3
InChIKeyJVBZMCLWKAGQDJ-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.62
Rot. Bonds1

About 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 2765533) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID2765533
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(Cl)cc2)C(C#N)=C(C)N1
InChIInChI=1S/C15H12ClN3/c1-9-13(7-17)15(14(8-18)10(2)19-9)11-3-5-12(16)6-4-11/h3-6,15,19H,1-2H3
InChIKeyJVBZMCLWKAGQDJ-UHFFFAOYSA-N
XLogP3.62
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 2765533) is 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc(Cl)cc2)C(C#N)=C(C)N1.
What is the InChIKey of 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is JVBZMCLWKAGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-9-13(7-17)15(14(8-18)10(2)19-9)11-3-5-12(16)6-4-11/h3-6,15,19H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 269.74 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2765533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).