2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile

C13H17N3O2 — CID 102932797

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CC(C)OC(CO)C2)n1
InChIInChI=1S/C13H17N3O2/c1-9-3-11(5-14)4-13(15-9)16-6-10(2)18-12(7-16)8-17/h3-4,10,12,17H,6-8H2,1-2H3
InChIKeyGJQUDJBCBZIISX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.85
Rot. Bonds2

About 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile

2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile (PubChem CID 102932797) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile
PubChem CID102932797
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CC(C)OC(CO)C2)n1
InChIInChI=1S/C13H17N3O2/c1-9-3-11(5-14)4-13(15-9)16-6-10(2)18-12(7-16)8-17/h3-4,10,12,17H,6-8H2,1-2H3
InChIKeyGJQUDJBCBZIISX-UHFFFAOYSA-N
XLogP0.85
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.85
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-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile (CID 102932797) is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CC(C)OC(CO)C2)n1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile?
The InChIKey is GJQUDJBCBZIISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-3-11(5-14)4-13(15-9)16-6-10(2)18-12(7-16)8-17/h3-4,10,12,17H,6-8H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile?
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 0.85, 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-methylpyridine-4-carbonitrile is sourced from PubChem (CID 102932797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).