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

C14H12Cl5N3O — CID 159726941

IUPAC4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
SMILESClc1cc(Cl)nc(Cl)c1.Clc1cc(N2CCOCC2)cc(Cl)n1
InChIInChI=1S/C9H10Cl2N2O.C5H2Cl3N/c10-8-5-7(6-9(11)12-8)13-1-3-14-4-2-13;6-3-1-4(7)9-5(8)2-3/h5-6H,1-4H2;1-2H
InChIKeyNATGWNZJIQQXON-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.27
Rot. Bonds1

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

4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine (PubChem CID 159726941) has the molecular formula C14H12Cl5N3O and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine.

Molecular Properties

Compound Name4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
PubChem CID159726941
Molecular FormulaC14H12Cl5N3O
Molecular Weight415.54 g/mol
Exact Mass412.94
IUPAC Name4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
SMILESClc1cc(Cl)nc(Cl)c1.Clc1cc(N2CCOCC2)cc(Cl)n1
InChIInChI=1S/C9H10Cl2N2O.C5H2Cl3N/c10-8-5-7(6-9(11)12-8)13-1-3-14-4-2-13;6-3-1-4(7)9-5(8)2-3/h5-6H,1-4H2;1-2H
InChIKeyNATGWNZJIQQXON-UHFFFAOYSA-N
XLogP5.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine?
The IUPAC name of 4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine (CID 159726941) is 4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine.
What is the SMILES notation for 4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine?
The canonical SMILES for 4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine is Clc1cc(Cl)nc(Cl)c1.Clc1cc(N2CCOCC2)cc(Cl)n1.
What is the InChIKey of 4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine?
The InChIKey is NATGWNZJIQQXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O.C5H2Cl3N/c10-8-5-7(6-9(11)12-8)13-1-3-14-4-2-13;6-3-1-4(7)9-5(8)2-3/h5-6H,1-4H2;1-2H.
What are the key properties of 4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine?
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine has a molecular weight of 415.54 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine is sourced from PubChem (CID 159726941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).