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

C13H17F3N2O2 — CID 81053607

IUPAC2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-4-5-18(7-13(14,15)16)10-6-8(2)17-9(3)11(10)12(19)20/h6H,4-5,7H2,1-3H3,(H,19,20)
InChIKeyAFEVTKSJQXNHHI-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.18
Rot. Bonds5

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

2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81053607) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
PubChem CID81053607
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-4-5-18(7-13(14,15)16)10-6-8(2)17-9(3)11(10)12(19)20/h6H,4-5,7H2,1-3H3,(H,19,20)
InChIKeyAFEVTKSJQXNHHI-UHFFFAOYSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
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-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid (CID 81053607) is 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid is CCCN(CC(F)(F)F)c1cc(C)nc(C)c1C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is AFEVTKSJQXNHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-4-5-18(7-13(14,15)16)10-6-8(2)17-9(3)11(10)12(19)20/h6H,4-5,7H2,1-3H3,(H,19,20).
What are the key properties of 2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
2,6-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 81053607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).