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

C10H11BrF2N2O2 — CID 90456658

IUPAC4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine
SMILESFC(F)Oc1ncc(Br)cc1N1CCOCC1
InChIInChI=1S/C10H11BrF2N2O2/c11-7-5-8(15-1-3-16-4-2-15)9(14-6-7)17-10(12)13/h5-6,10H,1-4H2
InChIKeyMGAWEKBLMMVIID-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.28
Rot. Bonds3

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

4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine (PubChem CID 90456658) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine
PubChem CID90456658
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Name4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine
SMILESFC(F)Oc1ncc(Br)cc1N1CCOCC1
InChIInChI=1S/C10H11BrF2N2O2/c11-7-5-8(15-1-3-16-4-2-15)9(14-6-7)17-10(12)13/h5-6,10H,1-4H2
InChIKeyMGAWEKBLMMVIID-UHFFFAOYSA-N
XLogP2.28
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.28
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-(difluoromethoxy)-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine (CID 90456658) is 4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine is FC(F)Oc1ncc(Br)cc1N1CCOCC1.
What is the InChIKey of 4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine?
The InChIKey is MGAWEKBLMMVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c11-7-5-8(15-1-3-16-4-2-15)9(14-6-7)17-10(12)13/h5-6,10H,1-4H2.
What are the key properties of 4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine?
4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine has a molecular weight of 309.11 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(difluoromethoxy)-3-pyridinyl]morpholine is sourced from PubChem (CID 90456658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).