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

C10H10BrF3N2O — CID 97180514

IUPAC4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C10H10BrF3N2O/c11-8-5-7(10(12,13)14)6-15-9(8)16-1-3-17-4-2-16/h5-6H,1-4H2
InChIKeyMTULYWGXFBJVPI-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.70
Rot. Bonds1

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

4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 97180514) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is 4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID97180514
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C10H10BrF3N2O/c11-8-5-7(10(12,13)14)6-15-9(8)16-1-3-17-4-2-16/h5-6H,1-4H2
InChIKeyMTULYWGXFBJVPI-UHFFFAOYSA-N
XLogP2.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine (CID 97180514) is 4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine is FC(F)(F)c1cnc(N2CCOCC2)c(Br)c1.
What is the InChIKey of 4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is MTULYWGXFBJVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c11-8-5-7(10(12,13)14)6-15-9(8)16-1-3-17-4-2-16/h5-6H,1-4H2.
What are the key properties of 4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine?
4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 311.10 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 97180514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).