4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid

C11H11N3O3 — CID 81244232

IUPAC4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid
SMILESN#CC1CN(c2ccncc2C(=O)O)CCO1
InChIInChI=1S/C11H11N3O3/c12-5-8-7-14(3-4-17-8)10-1-2-13-6-9(10)11(15)16/h1-2,6,8H,3-4,7H2,(H,15,16)
InChIKeyWFLLNODFYSHURS-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.51
Rot. Bonds2

About 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid

4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid (PubChem CID 81244232) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid
PubChem CID81244232
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid
SMILESN#CC1CN(c2ccncc2C(=O)O)CCO1
InChIInChI=1S/C11H11N3O3/c12-5-8-7-14(3-4-17-8)10-1-2-13-6-9(10)11(15)16/h1-2,6,8H,3-4,7H2,(H,15,16)
InChIKeyWFLLNODFYSHURS-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid (CID 81244232) is 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid is N#CC1CN(c2ccncc2C(=O)O)CCO1.
What is the InChIKey of 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is WFLLNODFYSHURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-5-8-7-14(3-4-17-8)10-1-2-13-6-9(10)11(15)16/h1-2,6,8H,3-4,7H2,(H,15,16).
What are the key properties of 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid?
4-(2-cyanomorpholin-4-yl)pyridine-3-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 4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81244232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).