2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile

C13H16F3N3 — CID 81061135

IUPAC2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
SMILESCCCN(CC(F)(F)F)c1cc(C)nc(C)c1C#N
InChIInChI=1S/C13H16F3N3/c1-4-5-19(8-13(14,15)16)12-6-9(2)18-10(3)11(12)7-17/h6H,4-5,8H2,1-3H3
InChIKeyBKYMKHRPXCVHAU-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.35
Rot. Bonds4

About 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile

2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile (PubChem CID 81061135) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
PubChem CID81061135
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
SMILESCCCN(CC(F)(F)F)c1cc(C)nc(C)c1C#N
InChIInChI=1S/C13H16F3N3/c1-4-5-19(8-13(14,15)16)12-6-9(2)18-10(3)11(12)7-17/h6H,4-5,8H2,1-3H3
InChIKeyBKYMKHRPXCVHAU-UHFFFAOYSA-N
XLogP3.35
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile (CID 81061135) is 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile is CCCN(CC(F)(F)F)c1cc(C)nc(C)c1C#N.
What is the InChIKey of 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
The InChIKey is BKYMKHRPXCVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-4-5-19(8-13(14,15)16)12-6-9(2)18-10(3)11(12)7-17/h6H,4-5,8H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 81061135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).