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

C14H11ClN4 — CID 51057968

IUPAC4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(Cl)nc2)C(C#N)=C(C)N1
InChIInChI=1S/C14H11ClN4/c1-8-11(5-16)14(12(6-17)9(2)19-8)10-3-4-13(15)18-7-10/h3-4,7,14,19H,1-2H3
InChIKeyGASOQOXGZUPIPR-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.02
Rot. Bonds1

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

4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 51057968) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID51057968
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(Cl)nc2)C(C#N)=C(C)N1
InChIInChI=1S/C14H11ClN4/c1-8-11(5-16)14(12(6-17)9(2)19-8)10-3-4-13(15)18-7-10/h3-4,7,14,19H,1-2H3
InChIKeyGASOQOXGZUPIPR-UHFFFAOYSA-N
XLogP3.02
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-3-pyridinyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 51058044
4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 2818311
4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4073554
2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile
CID 132602058
4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4626184
2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 21293070
2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957253
[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]methyl acetate
CID 70197006
4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile
CID 143690972
2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 141206258
[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl] benzoate
CID 140505140
4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 4190328

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 51057968) is 4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc(Cl)nc2)C(C#N)=C(C)N1.
What is the InChIKey of 4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is GASOQOXGZUPIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c1-8-11(5-16)14(12(6-17)9(2)19-8)10-3-4-13(15)18-7-10/h3-4,7,14,19H,1-2H3.
What are the key properties of 4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 270.72 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 51057968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).