6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid

C11H11N3O3 — CID 79681061

IUPAC6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid
SMILESN#CC1CN(c2cccc(C(=O)O)n2)CCO1
InChIInChI=1S/C11H11N3O3/c12-6-8-7-14(4-5-17-8)10-3-1-2-9(13-10)11(15)16/h1-3,8H,4-5,7H2,(H,15,16)
InChIKeyDGIYNOOBAJSYIM-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.51
Rot. Bonds2

About 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid

6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid (PubChem CID 79681061) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid
PubChem CID79681061
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid
SMILESN#CC1CN(c2cccc(C(=O)O)n2)CCO1
InChIInChI=1S/C11H11N3O3/c12-6-8-7-14(4-5-17-8)10-3-1-2-9(13-10)11(15)16/h1-3,8H,4-5,7H2,(H,15,16)
InChIKeyDGIYNOOBAJSYIM-UHFFFAOYSA-N
XLogP0.51
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 122051271
6-[(2-cyanomorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 106904230
4-pyridin-2-ylmorpholine-2-carbonitrile
CID 78946454
4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile
CID 79675246
6-[2-(3-hydroxyphenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122054423
6-(2-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 122054334
6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122053464
4-phenylmorpholine-2-carbonitrile
CID 67651414
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
4-(2-hydrazinylpyrimidin-4-yl)morpholine-2-carbonitrile
CID 80929416
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid (CID 79681061) is 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid is N#CC1CN(c2cccc(C(=O)O)n2)CCO1.
What is the InChIKey of 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid?
The InChIKey is DGIYNOOBAJSYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-6-8-7-14(4-5-17-8)10-3-1-2-9(13-10)11(15)16/h1-3,8H,4-5,7H2,(H,15,16).
What are the key properties of 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid?
6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 79681061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).