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

C16H11FN4 — CID 70968365

IUPAC4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(C#N)c(F)c2)C(C#N)=C(C)N1
InChIInChI=1S/C16H11FN4/c1-9-13(7-19)16(14(8-20)10(2)21-9)11-3-4-12(6-18)15(17)5-11/h3-5,16,21H,1-2H3
InChIKeyFKGNVFGRVFJHEL-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.98
Rot. Bonds1

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

4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 70968365) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID70968365
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(C#N)c(F)c2)C(C#N)=C(C)N1
InChIInChI=1S/C16H11FN4/c1-9-13(7-19)16(14(8-20)10(2)21-9)11-3-4-12(6-18)15(17)5-11/h3-5,16,21H,1-2H3
InChIKeyFKGNVFGRVFJHEL-UHFFFAOYSA-N
XLogP2.98
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 70968365) is 4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc(C#N)c(F)c2)C(C#N)=C(C)N1.
What is the InChIKey of 4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is FKGNVFGRVFJHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c1-9-13(7-19)16(14(8-20)10(2)21-9)11-3-4-12(6-18)15(17)5-11/h3-5,16,21H,1-2H3.
What are the key properties of 4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 278.29 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 70968365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).