4-(5-bromo-3-pyridinyl)morpholine

C9H11BrN2O — CID 46739614

IUPAC4-(5-bromo-3-pyridinyl)morpholine
SMILESBrc1cncc(N2CCOCC2)c1
InChIInChI=1S/C9H11BrN2O/c10-8-5-9(7-11-6-8)12-1-3-13-4-2-12/h5-7H,1-4H2
InChIKeyCOIOXTGXIQKWBH-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.68
Rot. Bonds1

About 4-(5-bromo-3-pyridinyl)morpholine

4-(5-bromo-3-pyridinyl)morpholine (PubChem CID 46739614) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)morpholine
PubChem CID46739614
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name4-(5-bromo-3-pyridinyl)morpholine
SMILESBrc1cncc(N2CCOCC2)c1
InChIInChI=1S/C9H11BrN2O/c10-8-5-9(7-11-6-8)12-1-3-13-4-2-12/h5-7H,1-4H2
InChIKeyCOIOXTGXIQKWBH-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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)morpholine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)morpholine (CID 46739614) is 4-(5-bromo-3-pyridinyl)morpholine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)morpholine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)morpholine is Brc1cncc(N2CCOCC2)c1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)morpholine?
The InChIKey is COIOXTGXIQKWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-5-9(7-11-6-8)12-1-3-13-4-2-12/h5-7H,1-4H2.
What are the key properties of 4-(5-bromo-3-pyridinyl)morpholine?
4-(5-bromo-3-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-(5-bromo-3-pyridinyl)morpholine is sourced from PubChem (CID 46739614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).