4-(2,6-dichloro-4-pyridinyl)morpholine

C9H10Cl2N2O — CID 11615578

IUPAC4-(2,6-dichloro-4-pyridinyl)morpholine
SMILESClc1cc(N2CCOCC2)cc(Cl)n1
InChIInChI=1S/C9H10Cl2N2O/c10-8-5-7(6-9(11)12-8)13-1-3-14-4-2-13/h5-6H,1-4H2
InChIKeyAKXNTPCICNNILS-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.22
Rot. Bonds1

About 4-(2,6-dichloro-4-pyridinyl)morpholine

4-(2,6-dichloro-4-pyridinyl)morpholine (PubChem CID 11615578) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(2,6-dichloro-4-pyridinyl)morpholine
PubChem CID11615578
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name4-(2,6-dichloro-4-pyridinyl)morpholine
SMILESClc1cc(N2CCOCC2)cc(Cl)n1
InChIInChI=1S/C9H10Cl2N2O/c10-8-5-7(6-9(11)12-8)13-1-3-14-4-2-13/h5-6H,1-4H2
InChIKeyAKXNTPCICNNILS-UHFFFAOYSA-N
XLogP2.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(2,6-dichloro-4-pyridinyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-pyridinyl)morpholine?
The IUPAC name of 4-(2,6-dichloro-4-pyridinyl)morpholine (CID 11615578) is 4-(2,6-dichloro-4-pyridinyl)morpholine.
What is the SMILES notation for 4-(2,6-dichloro-4-pyridinyl)morpholine?
The canonical SMILES for 4-(2,6-dichloro-4-pyridinyl)morpholine is Clc1cc(N2CCOCC2)cc(Cl)n1.
What is the InChIKey of 4-(2,6-dichloro-4-pyridinyl)morpholine?
The InChIKey is AKXNTPCICNNILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-8-5-7(6-9(11)12-8)13-1-3-14-4-2-13/h5-6H,1-4H2.
What are the key properties of 4-(2,6-dichloro-4-pyridinyl)morpholine?
4-(2,6-dichloro-4-pyridinyl)morpholine has a molecular weight of 233.10 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-pyridinyl)morpholine is sourced from PubChem (CID 11615578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).