5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one

C10H9BrClFN2O2 — CID 86668063

IUPAC5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one
SMILESO=C1COCC(CF)(c2cc(Br)cnc2Cl)N1
InChIInChI=1S/C10H9BrClFN2O2/c11-6-1-7(9(12)14-2-6)10(4-13)5-17-3-8(16)15-10/h1-2H,3-5H2,(H,15,16)
InChIKeyPWCSUCWVWZCJGY-UHFFFAOYSA-N
MW323.55 g/mol
LogP1.81
Rot. Bonds2

About 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one

5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one (PubChem CID 86668063) has the molecular formula C10H9BrClFN2O2 and a molecular weight of 323.55 g/mol. Its IUPAC name is 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one
PubChem CID86668063
Molecular FormulaC10H9BrClFN2O2
Molecular Weight323.55 g/mol
Exact Mass321.95
IUPAC Name5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one
SMILESO=C1COCC(CF)(c2cc(Br)cnc2Cl)N1
InChIInChI=1S/C10H9BrClFN2O2/c11-6-1-7(9(12)14-2-6)10(4-13)5-17-3-8(16)15-10/h1-2H,3-5H2,(H,15,16)
InChIKeyPWCSUCWVWZCJGY-UHFFFAOYSA-N
XLogP1.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one?
The IUPAC name of 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one (CID 86668063) is 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one.
What is the SMILES notation for 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one?
The canonical SMILES for 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one is O=C1COCC(CF)(c2cc(Br)cnc2Cl)N1.
What is the InChIKey of 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one?
The InChIKey is PWCSUCWVWZCJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFN2O2/c11-6-1-7(9(12)14-2-6)10(4-13)5-17-3-8(16)15-10/h1-2H,3-5H2,(H,15,16).
What are the key properties of 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one?
5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one has a molecular weight of 323.55 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chloro-3-pyridinyl)-5-(fluoromethyl)morpholin-3-one is sourced from PubChem (CID 86668063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).