5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide

C11H10F3N3O2 — CID 86783276

IUPAC5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide
SMILESCN(CC(O)C(F)(F)F)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H10F3N3O2/c1-17(6-9(18)11(12,13)14)10(19)8-3-2-7(4-15)5-16-8/h2-3,5,9,18H,6H2,1H3
InChIKeyGLZMWFUSXOFVLH-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.95
Rot. Bonds3

About 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide

5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide (PubChem CID 86783276) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide
PubChem CID86783276
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide
SMILESCN(CC(O)C(F)(F)F)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H10F3N3O2/c1-17(6-9(18)11(12,13)14)10(19)8-3-2-7(4-15)5-16-8/h2-3,5,9,18H,6H2,1H3
InChIKeyGLZMWFUSXOFVLH-UHFFFAOYSA-N
XLogP0.95
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide (CID 86783276) is 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide is CN(CC(O)C(F)(F)F)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide?
The InChIKey is GLZMWFUSXOFVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-17(6-9(18)11(12,13)14)10(19)8-3-2-7(4-15)5-16-8/h2-3,5,9,18H,6H2,1H3.
What are the key properties of 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide?
5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide has a molecular weight of 273.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 86783276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).