4-(5-bromo-3-fluoro-2-pyridinyl)morpholine

C9H10BrFN2O — CID 16658501

IUPAC4-(5-bromo-3-fluoro-2-pyridinyl)morpholine
SMILESFc1cc(Br)cnc1N1CCOCC1
InChIInChI=1S/C9H10BrFN2O/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2
InChIKeyFTAJAYDJLKWPBI-UHFFFAOYSA-N
MW261.09 g/mol
LogP1.82
Rot. Bonds1

About 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine

4-(5-bromo-3-fluoro-2-pyridinyl)morpholine (PubChem CID 16658501) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-3-fluoro-2-pyridinyl)morpholine
PubChem CID16658501
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name4-(5-bromo-3-fluoro-2-pyridinyl)morpholine
SMILESFc1cc(Br)cnc1N1CCOCC1
InChIInChI=1S/C9H10BrFN2O/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2
InChIKeyFTAJAYDJLKWPBI-UHFFFAOYSA-N
XLogP1.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 51.82
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-fluoro-2-pyridinyl)morpholine?
The IUPAC name of 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine (CID 16658501) is 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine?
The canonical SMILES for 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine is Fc1cc(Br)cnc1N1CCOCC1.
What is the InChIKey of 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine?
The InChIKey is FTAJAYDJLKWPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2.
What are the key properties of 4-(5-bromo-3-fluoro-2-pyridinyl)morpholine?
4-(5-bromo-3-fluoro-2-pyridinyl)morpholine has a molecular weight of 261.09 g/mol, XLogP of 1.82, 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-fluoro-2-pyridinyl)morpholine is sourced from PubChem (CID 16658501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).