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

C17H16BrFN2O3 — CID 46100349

IUPAC(6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone
SMILESO=C(c1cccc(Br)n1)N1CCOC(COc2ccc(F)cc2)C1
InChIInChI=1S/C17H16BrFN2O3/c18-16-3-1-2-15(20-16)17(22)21-8-9-23-14(10-21)11-24-13-6-4-12(19)5-7-13/h1-7,14H,8-11H2
InChIKeyNZKCBSPKOLLYJZ-UHFFFAOYSA-N
MW395.23 g/mol
LogP2.90
Rot. Bonds4

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

(6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone (PubChem CID 46100349) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone
PubChem CID46100349
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC Name(6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone
SMILESO=C(c1cccc(Br)n1)N1CCOC(COc2ccc(F)cc2)C1
InChIInChI=1S/C17H16BrFN2O3/c18-16-3-1-2-15(20-16)17(22)21-8-9-23-14(10-21)11-24-13-6-4-12(19)5-7-13/h1-7,14H,8-11H2
InChIKeyNZKCBSPKOLLYJZ-UHFFFAOYSA-N
XLogP2.90
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.90
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-fluorophenoxy)methyl]morpholin-4-yl]methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone (CID 46100349) is (6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone is O=C(c1cccc(Br)n1)N1CCOC(COc2ccc(F)cc2)C1.
What is the InChIKey of (6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone?
The InChIKey is NZKCBSPKOLLYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c18-16-3-1-2-15(20-16)17(22)21-8-9-23-14(10-21)11-24-13-6-4-12(19)5-7-13/h1-7,14H,8-11H2.
What are the key properties of (6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone?
(6-bromo-2-pyridinyl)-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]methanone has a molecular weight of 395.23 g/mol, XLogP of 2.90, 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-fluorophenoxy)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 46100349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).