4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile

C12H15N3O2 — CID 79675246

IUPAC4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile
SMILESCCOc1cccc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C12H15N3O2/c1-2-16-12-5-3-4-11(14-12)15-6-7-17-10(8-13)9-15/h3-5,10H,2,6-7,9H2,1H3
InChIKeyKFVRBWOYEZTXHP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.21
Rot. Bonds3

About 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile

4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile (PubChem CID 79675246) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile
PubChem CID79675246
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile
SMILESCCOc1cccc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C12H15N3O2/c1-2-16-12-5-3-4-11(14-12)15-6-7-17-10(8-13)9-15/h3-5,10H,2,6-7,9H2,1H3
InChIKeyKFVRBWOYEZTXHP-UHFFFAOYSA-N
XLogP1.21
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile (CID 79675246) is 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile is CCOc1cccc(N2CCOC(C#N)C2)n1.
What is the InChIKey of 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile?
The InChIKey is KFVRBWOYEZTXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-16-12-5-3-4-11(14-12)15-6-7-17-10(8-13)9-15/h3-5,10H,2,6-7,9H2,1H3.
What are the key properties of 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile?
4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79675246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).