(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone

C18H19BrN2O3 — CID 46100358

IUPAC(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(OCC2CN(C(=O)c3cccc(Br)n3)CCO2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13-5-7-14(8-6-13)24-12-15-11-21(9-10-23-15)18(22)16-3-2-4-17(19)20-16/h2-8,15H,9-12H2,1H3
InChIKeyVIKGKCWQPYRXFK-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.07
Rot. Bonds4

About (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone

(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone (PubChem CID 46100358) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
PubChem CID46100358
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(OCC2CN(C(=O)c3cccc(Br)n3)CCO2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13-5-7-14(8-6-13)24-12-15-11-21(9-10-23-15)18(22)16-3-2-4-17(19)20-16/h2-8,15H,9-12H2,1H3
InChIKeyVIKGKCWQPYRXFK-UHFFFAOYSA-N
XLogP3.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.07
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 (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone (CID 46100358) is (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone is Cc1ccc(OCC2CN(C(=O)c3cccc(Br)n3)CCO2)cc1.
What is the InChIKey of (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone?
The InChIKey is VIKGKCWQPYRXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-13-5-7-14(8-6-13)24-12-15-11-21(9-10-23-15)18(22)16-3-2-4-17(19)20-16/h2-8,15H,9-12H2,1H3.
What are the key properties of (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone?
(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone has a molecular weight of 391.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 46100358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).