2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H14F3N3O2 — CID 102932757

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C#N)CC(CO)O1
InChIInChI=1S/C13H14F3N3O2/c1-8-5-19(6-10(7-20)21-8)12-9(4-17)2-3-11(18-12)13(14,15)16/h2-3,8,10,20H,5-7H2,1H3
InChIKeyRYOGTURYOVKNPC-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.56
Rot. Bonds2

About 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 102932757) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID102932757
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C#N)CC(CO)O1
InChIInChI=1S/C13H14F3N3O2/c1-8-5-19(6-10(7-20)21-8)12-9(4-17)2-3-11(18-12)13(14,15)16/h2-3,8,10,20H,5-7H2,1H3
InChIKeyRYOGTURYOVKNPC-UHFFFAOYSA-N
XLogP1.56
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 102932757) is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is CC1CN(c2nc(C(F)(F)F)ccc2C#N)CC(CO)O1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RYOGTURYOVKNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-8-5-19(6-10(7-20)21-8)12-9(4-17)2-3-11(18-12)13(14,15)16/h2-3,8,10,20H,5-7H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 301.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 102932757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).