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

C15H11Cl2N3 — CID 2818311

IUPAC4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(Cl)c(Cl)c2)C(C#N)=C(C)N1
InChIInChI=1S/C15H11Cl2N3/c1-8-11(6-18)15(12(7-19)9(2)20-8)10-3-4-13(16)14(17)5-10/h3-5,15,20H,1-2H3
InChIKeyBULNZDRGZAEIFA-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.28
Rot. Bonds1

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

4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 2818311) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID2818311
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(Cl)c(Cl)c2)C(C#N)=C(C)N1
InChIInChI=1S/C15H11Cl2N3/c1-8-11(6-18)15(12(7-19)9(2)20-8)10-3-4-13(16)14(17)5-10/h3-5,15,20H,1-2H3
InChIKeyBULNZDRGZAEIFA-UHFFFAOYSA-N
XLogP4.28
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl-(3,4-dichloro-phenyl)-acetonitrile
CID 10084369
2,6-diamino-4-(3,4-dichlorophenyl)-4H-thiopyran-3,5-dicarbonitrile
CID 689125
2-amino-4-(3,4-dichlorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
CID 2839218
4-(2-CL-6-Fluoro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarbonitrile
CID 854660
4-(4-Chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 2765533
2,6-Dichloro-4-(4-chlorophenyl)-1,4-dihydro-3,5-pyridinedicarbonitrile
CID 366980
(Z)-2-(3,4-dichlorophenyl)hept-2-enenitrile
CID 90666232
4-(2-Chloro-4-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
CID 24212885
2-(3,4-Dichlorophenyl)ethane-1,1,2-tricarbonitrile
CID 219346
3-(3,4-Dichlorophenyl)pentanedinitrile
CID 20546554
4-(2-Chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 2818349
(3R)-3-(3,4-dichlorophenyl)-3-phenylpropanenitrile
CID 53381301

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 2818311) is 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc(Cl)c(Cl)c2)C(C#N)=C(C)N1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is BULNZDRGZAEIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c1-8-11(6-18)15(12(7-19)9(2)20-8)10-3-4-13(16)14(17)5-10/h3-5,15,20H,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 304.18 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2818311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).