2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile

C12H14F3N3O — CID 81059816

IUPAC2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCCOCC(F)(F)F)c(C#N)c(C)n1
InChIInChI=1S/C12H14F3N3O/c1-8-5-11(10(6-16)9(2)18-8)17-3-4-19-7-12(13,14)15/h5H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyIXYVYVRVKFTYMI-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.56
Rot. Bonds5

About 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile

2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile (PubChem CID 81059816) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile
PubChem CID81059816
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCCOCC(F)(F)F)c(C#N)c(C)n1
InChIInChI=1S/C12H14F3N3O/c1-8-5-11(10(6-16)9(2)18-8)17-3-4-19-7-12(13,14)15/h5H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyIXYVYVRVKFTYMI-UHFFFAOYSA-N
XLogP2.56
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile (CID 81059816) is 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile is Cc1cc(NCCOCC(F)(F)F)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile?
The InChIKey is IXYVYVRVKFTYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-8-5-11(10(6-16)9(2)18-8)17-3-4-19-7-12(13,14)15/h5H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile has a molecular weight of 273.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 81059816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).