2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile

C27H11F2N5 — CID 176522049

IUPAC2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3cc(F)cc(F)c3)c2C#N)cc1
InChIInChI=1S/C27H11F2N5/c28-21-9-20(10-22(29)11-21)25-23(14-32)26(18-5-1-16(12-30)2-6-18)34-27(24(25)15-33)19-7-3-17(13-31)4-8-19/h1-11H
InChIKeyKAKBZOZCHWLNBE-UHFFFAOYSA-N
MW443.42 g/mol
LogP5.85
Rot. Bonds3

About 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile

2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile (PubChem CID 176522049) has the molecular formula C27H11F2N5 and a molecular weight of 443.42 g/mol. Its IUPAC name is 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile
PubChem CID176522049
Molecular FormulaC27H11F2N5
Molecular Weight443.42 g/mol
Exact Mass443.10
IUPAC Name2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3cc(F)cc(F)c3)c2C#N)cc1
InChIInChI=1S/C27H11F2N5/c28-21-9-20(10-22(29)11-21)25-23(14-32)26(18-5-1-16(12-30)2-6-18)34-27(24(25)15-33)19-7-3-17(13-31)4-8-19/h1-11H
InChIKeyKAKBZOZCHWLNBE-UHFFFAOYSA-N
XLogP5.85
TPSA108.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile (CID 176522049) is 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile is N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3cc(F)cc(F)c3)c2C#N)cc1.
What is the InChIKey of 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is KAKBZOZCHWLNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H11F2N5/c28-21-9-20(10-22(29)11-21)25-23(14-32)26(18-5-1-16(12-30)2-6-18)34-27(24(25)15-33)19-7-3-17(13-31)4-8-19/h1-11H.
What are the key properties of 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile?
2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 443.42 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-cyanophenyl)-4-(3,5-difluorophenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176522049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).