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

C16H11F3N4O — CID 2807503

IUPAC2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESCCOc1nc(N)c(C#N)c(-c2ccc(C(F)(F)F)cc2)c1C#N
InChIInChI=1S/C16H11F3N4O/c1-2-24-15-12(8-21)13(11(7-20)14(22)23-15)9-3-5-10(6-4-9)16(17,18)19/h3-6H,2H2,1H3,(H2,22,23)
InChIKeyWJXARYHQKINFBI-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.49
Rot. Bonds3

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

2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 2807503) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID2807503
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESCCOc1nc(N)c(C#N)c(-c2ccc(C(F)(F)F)cc2)c1C#N
InChIInChI=1S/C16H11F3N4O/c1-2-24-15-12(8-21)13(11(7-20)14(22)23-15)9-3-5-10(6-4-9)16(17,18)19/h3-6H,2H2,1H3,(H2,22,23)
InChIKeyWJXARYHQKINFBI-UHFFFAOYSA-N
XLogP3.49
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (CID 2807503) is 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is CCOc1nc(N)c(C#N)c(-c2ccc(C(F)(F)F)cc2)c1C#N.
What is the InChIKey of 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is WJXARYHQKINFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c1-2-24-15-12(8-21)13(11(7-20)14(22)23-15)9-3-5-10(6-4-9)16(17,18)19/h3-6H,2H2,1H3,(H2,22,23).
What are the key properties of 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 332.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2807503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).