2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C21H16F3N3 — CID 3464753

IUPAC2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3C(F)(F)F)c(C#N)c(N)n2)c(C)c1
InChIInChI=1S/C21H16F3N3/c1-12-7-8-14(13(2)9-12)19-10-16(17(11-25)20(26)27-19)15-5-3-4-6-18(15)21(22,23)24/h3-10H,1-2H3,(H2,26,27)
InChIKeySAKSWGCTNJNUMC-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.51
Rot. Bonds2

About 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 3464753) has the molecular formula C21H16F3N3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID3464753
Molecular FormulaC21H16F3N3
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3C(F)(F)F)c(C#N)c(N)n2)c(C)c1
InChIInChI=1S/C21H16F3N3/c1-12-7-8-14(13(2)9-12)19-10-16(17(11-25)20(26)27-19)15-5-3-4-6-18(15)21(22,23)24/h3-10H,1-2H3,(H2,26,27)
InChIKeySAKSWGCTNJNUMC-UHFFFAOYSA-N
XLogP5.51
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 3464753) is 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccccc3C(F)(F)F)c(C#N)c(N)n2)c(C)c1.
What is the InChIKey of 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is SAKSWGCTNJNUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3/c1-12-7-8-14(13(2)9-12)19-10-16(17(11-25)20(26)27-19)15-5-3-4-6-18(15)21(22,23)24/h3-10H,1-2H3,(H2,26,27).
What are the key properties of 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 367.37 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 3464753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).