4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine

C11H13BrF2N2O2 — CID 90457149

IUPAC4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine
SMILESFC(F)COc1ncc(Br)cc1N1CCOCC1
InChIInChI=1S/C11H13BrF2N2O2/c12-8-5-9(16-1-3-17-4-2-16)11(15-6-8)18-7-10(13)14/h5-6,10H,1-4,7H2
InChIKeyZSZIHBAJWOIJGZ-UHFFFAOYSA-N
MW323.14 g/mol
LogP2.32
Rot. Bonds4

About 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine

4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine (PubChem CID 90457149) has the molecular formula C11H13BrF2N2O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine
PubChem CID90457149
Molecular FormulaC11H13BrF2N2O2
Molecular Weight323.14 g/mol
Exact Mass322.01
IUPAC Name4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine
SMILESFC(F)COc1ncc(Br)cc1N1CCOCC1
InChIInChI=1S/C11H13BrF2N2O2/c12-8-5-9(16-1-3-17-4-2-16)11(15-6-8)18-7-10(13)14/h5-6,10H,1-4,7H2
InChIKeyZSZIHBAJWOIJGZ-UHFFFAOYSA-N
XLogP2.32
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine (CID 90457149) is 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine is FC(F)COc1ncc(Br)cc1N1CCOCC1.
What is the InChIKey of 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine?
The InChIKey is ZSZIHBAJWOIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2/c12-8-5-9(16-1-3-17-4-2-16)11(15-6-8)18-7-10(13)14/h5-6,10H,1-4,7H2.
What are the key properties of 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine?
4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine has a molecular weight of 323.14 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]morpholine is sourced from PubChem (CID 90457149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).