4-(6-bromo-2-pyridinyl)morpholine

C9H11BrN2O — CID 7164599

IUPAC4-(6-bromo-2-pyridinyl)morpholine
SMILESBrc1cccc(N2CCOCC2)n1
InChIInChI=1S/C9H11BrN2O/c10-8-2-1-3-9(11-8)12-4-6-13-7-5-12/h1-3H,4-7H2
InChIKeyRCGFRLCJCFDVOQ-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.68
Rot. Bonds1

About 4-(6-bromo-2-pyridinyl)morpholine

4-(6-bromo-2-pyridinyl)morpholine (PubChem CID 7164599) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-(6-bromo-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(6-bromo-2-pyridinyl)morpholine
PubChem CID7164599
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name4-(6-bromo-2-pyridinyl)morpholine
SMILESBrc1cccc(N2CCOCC2)n1
InChIInChI=1S/C9H11BrN2O/c10-8-2-1-3-9(11-8)12-4-6-13-7-5-12/h1-3H,4-7H2
InChIKeyRCGFRLCJCFDVOQ-UHFFFAOYSA-N
XLogP1.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.68
H-Bond Donors ≤ 50
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 4-(6-bromo-2-pyridinyl)morpholine?
The IUPAC name of 4-(6-bromo-2-pyridinyl)morpholine (CID 7164599) is 4-(6-bromo-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(6-bromo-2-pyridinyl)morpholine?
The canonical SMILES for 4-(6-bromo-2-pyridinyl)morpholine is Brc1cccc(N2CCOCC2)n1.
What is the InChIKey of 4-(6-bromo-2-pyridinyl)morpholine?
The InChIKey is RCGFRLCJCFDVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-2-1-3-9(11-8)12-4-6-13-7-5-12/h1-3H,4-7H2.
What are the key properties of 4-(6-bromo-2-pyridinyl)morpholine?
4-(6-bromo-2-pyridinyl)morpholine has a molecular weight of 243.10 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2-pyridinyl)morpholine is sourced from PubChem (CID 7164599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).