2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile

C21H10F6N4O — CID 71766459

IUPAC2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(-c2cccc(OC(F)(F)F)c2)c(C#N)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H10F6N4O/c22-20(23,24)13-6-4-11(5-7-13)17-15(9-28)18(31-19(30)16(17)10-29)12-2-1-3-14(8-12)32-21(25,26)27/h1-8H,(H2,30,31)
InChIKeyNWPYWDBAVKUBPI-UHFFFAOYSA-N
MW448.33 g/mol
LogP5.66
Rot. Bonds3

About 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile

2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 71766459) has the molecular formula C21H10F6N4O and a molecular weight of 448.33 g/mol. Its IUPAC name is 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID71766459
Molecular FormulaC21H10F6N4O
Molecular Weight448.33 g/mol
Exact Mass448.08
IUPAC Name2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(-c2cccc(OC(F)(F)F)c2)c(C#N)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H10F6N4O/c22-20(23,24)13-6-4-11(5-7-13)17-15(9-28)18(31-19(30)16(17)10-29)12-2-1-3-14(8-12)32-21(25,26)27/h1-8H,(H2,30,31)
InChIKeyNWPYWDBAVKUBPI-UHFFFAOYSA-N
XLogP5.66
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.33
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (CID 71766459) is 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(-c2cccc(OC(F)(F)F)c2)c(C#N)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is NWPYWDBAVKUBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F6N4O/c22-20(23,24)13-6-4-11(5-7-13)17-15(9-28)18(31-19(30)16(17)10-29)12-2-1-3-14(8-12)32-21(25,26)27/h1-8H,(H2,30,31).
What are the key properties of 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 448.33 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 71766459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).