2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile

C15H12F3N3 — CID 42893054

IUPAC2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3/c1-10(21-14-12(9-19)3-2-8-20-14)11-4-6-13(7-5-11)15(16,17)18/h2-8,10H,1H3,(H,20,21)
InChIKeyJPOSNKCCRDDGDA-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.15
Rot. Bonds3

About 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile

2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile (PubChem CID 42893054) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
PubChem CID42893054
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3/c1-10(21-14-12(9-19)3-2-8-20-14)11-4-6-13(7-5-11)15(16,17)18/h2-8,10H,1H3,(H,20,21)
InChIKeyJPOSNKCCRDDGDA-UHFFFAOYSA-N
XLogP4.15
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile (CID 42893054) is 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile is CC(Nc1ncccc1C#N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile?
The InChIKey is JPOSNKCCRDDGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-10(21-14-12(9-19)3-2-8-20-14)11-4-6-13(7-5-11)15(16,17)18/h2-8,10H,1H3,(H,20,21).
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile?
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile has a molecular weight of 291.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 42893054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).