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

C16H11FN4 — CID 91221853

IUPAC4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccc(F)c(C#N)c2)C1C#N
InChIInChI=1S/C16H11FN4/c1-9-13(7-19)16(14(8-20)10(2)21-9)11-3-4-15(17)12(5-11)6-18/h3-5,13,16H,1-2H3
InChIKeyCSFQWSMPKJTNMO-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.19
Rot. Bonds1

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

4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 91221853) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID91221853
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccc(F)c(C#N)c2)C1C#N
InChIInChI=1S/C16H11FN4/c1-9-13(7-19)16(14(8-20)10(2)21-9)11-3-4-15(17)12(5-11)6-18/h3-5,13,16H,1-2H3
InChIKeyCSFQWSMPKJTNMO-UHFFFAOYSA-N
XLogP3.19
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (CID 91221853) is 4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is CC1=NC(C)=C(C#N)C(c2ccc(F)c(C#N)c2)C1C#N.
What is the InChIKey of 4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is CSFQWSMPKJTNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c1-9-13(7-19)16(14(8-20)10(2)21-9)11-3-4-15(17)12(5-11)6-18/h3-5,13,16H,1-2H3.
What are the key properties of 4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 278.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 91221853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).