2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

C20H14F3N3 — CID 135072286

IUPAC2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(F)(F)F)c(C#N)c(Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H14F3N3/c1-13-7-9-14(10-8-13)18-11-17(20(21,22)23)16(12-24)19(26-18)25-15-5-3-2-4-6-15/h2-11H,1H3,(H,25,26)
InChIKeyAJJODZHSUBRPHS-UHFFFAOYSA-N
MW353.35 g/mol
LogP5.69
Rot. Bonds3

About 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 135072286) has the molecular formula C20H14F3N3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID135072286
Molecular FormulaC20H14F3N3
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(F)(F)F)c(C#N)c(Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H14F3N3/c1-13-7-9-14(10-8-13)18-11-17(20(21,22)23)16(12-24)19(26-18)25-15-5-3-2-4-6-15/h2-11H,1H3,(H,25,26)
InChIKeyAJJODZHSUBRPHS-UHFFFAOYSA-N
XLogP5.69
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.35
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 135072286) is 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is AJJODZHSUBRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3/c1-13-7-9-14(10-8-13)18-11-17(20(21,22)23)16(12-24)19(26-18)25-15-5-3-2-4-6-15/h2-11H,1H3,(H,25,26).
What are the key properties of 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 353.35 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 135072286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).