4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile

C11H10N4O — CID 79838851

IUPAC4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
SMILESN#Cc1ccc(N2CCOC(C#N)C2)cn1
InChIInChI=1S/C11H10N4O/c12-5-9-1-2-10(7-14-9)15-3-4-16-11(6-13)8-15/h1-2,7,11H,3-4,8H2
InChIKeyUADSGXMUBGVDDP-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.68
Rot. Bonds1

About 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile

4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile (PubChem CID 79838851) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
PubChem CID79838851
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
SMILESN#Cc1ccc(N2CCOC(C#N)C2)cn1
InChIInChI=1S/C11H10N4O/c12-5-9-1-2-10(7-14-9)15-3-4-16-11(6-13)8-15/h1-2,7,11H,3-4,8H2
InChIKeyUADSGXMUBGVDDP-UHFFFAOYSA-N
XLogP0.68
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile (CID 79838851) is 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile is N#Cc1ccc(N2CCOC(C#N)C2)cn1.
What is the InChIKey of 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile?
The InChIKey is UADSGXMUBGVDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-5-9-1-2-10(7-14-9)15-3-4-16-11(6-13)8-15/h1-2,7,11H,3-4,8H2.
What are the key properties of 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile?
4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79838851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).