(6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone

C18H18BrFN2O3 — CID 46100360

IUPAC(6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone
SMILESO=C(c1cccc(Br)n1)N1CCOC(COCc2ccccc2F)C1
InChIInChI=1S/C18H18BrFN2O3/c19-17-7-3-6-16(21-17)18(23)22-8-9-25-14(10-22)12-24-11-13-4-1-2-5-15(13)20/h1-7,14H,8-12H2
InChIKeyKIFPXTZCWSBFNR-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.04
Rot. Bonds5

About (6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone

(6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone (PubChem CID 46100360) has the molecular formula C18H18BrFN2O3 and a molecular weight of 409.26 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone
PubChem CID46100360
Molecular FormulaC18H18BrFN2O3
Molecular Weight409.26 g/mol
Exact Mass408.05
IUPAC Name(6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone
SMILESO=C(c1cccc(Br)n1)N1CCOC(COCc2ccccc2F)C1
InChIInChI=1S/C18H18BrFN2O3/c19-17-7-3-6-16(21-17)18(23)22-8-9-25-14(10-22)12-24-11-13-4-1-2-5-15(13)20/h1-7,14H,8-12H2
InChIKeyKIFPXTZCWSBFNR-UHFFFAOYSA-N
XLogP3.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.04
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-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone (CID 46100360) is (6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone is O=C(c1cccc(Br)n1)N1CCOC(COCc2ccccc2F)C1.
What is the InChIKey of (6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone?
The InChIKey is KIFPXTZCWSBFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3/c19-17-7-3-6-16(21-17)18(23)22-8-9-25-14(10-22)12-24-11-13-4-1-2-5-15(13)20/h1-7,14H,8-12H2.
What are the key properties of (6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone?
(6-bromo-2-pyridinyl)-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone has a molecular weight of 409.26 g/mol, XLogP of 3.04, 5 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-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 46100360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).