6-morpholin-4-ylpyridine-3-carbonitrile

C10H11N3O — CID 2737021

IUPAC6-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C10H11N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2
InChIKeyMWMUIALBOFAVDT-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.79
Rot. Bonds1

About 6-morpholin-4-ylpyridine-3-carbonitrile

6-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 2737021) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID2737021
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name6-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C10H11N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2
InChIKeyMWMUIALBOFAVDT-UHFFFAOYSA-N
XLogP0.79
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 6-morpholin-4-ylpyridine-3-carbonitrile (CID 2737021) is 6-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-morpholin-4-ylpyridine-3-carbonitrile is N#Cc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is MWMUIALBOFAVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2.
What are the key properties of 6-morpholin-4-ylpyridine-3-carbonitrile?
6-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 2737021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).