3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

C12H15BrFN3O2 — CID 104923813

IUPAC3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1ncc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C12H15BrFN3O2/c13-9-7-10(14)12(16-8-9)15-2-1-11(18)17-3-5-19-6-4-17/h7-8H,1-6H2,(H,15,16)
InChIKeyQLWJXVXNWURJIC-UHFFFAOYSA-N
MW332.17 g/mol
LogP1.64
Rot. Bonds4

About 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 104923813) has the molecular formula C12H15BrFN3O2 and a molecular weight of 332.17 g/mol. Its IUPAC name is 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID104923813
Molecular FormulaC12H15BrFN3O2
Molecular Weight332.17 g/mol
Exact Mass331.03
IUPAC Name3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1ncc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C12H15BrFN3O2/c13-9-7-10(14)12(16-8-9)15-2-1-11(18)17-3-5-19-6-4-17/h7-8H,1-6H2,(H,15,16)
InChIKeyQLWJXVXNWURJIC-UHFFFAOYSA-N
XLogP1.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (CID 104923813) is 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is O=C(CCNc1ncc(Br)cc1F)N1CCOCC1.
What is the InChIKey of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is QLWJXVXNWURJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O2/c13-9-7-10(14)12(16-8-9)15-2-1-11(18)17-3-5-19-6-4-17/h7-8H,1-6H2,(H,15,16).
What are the key properties of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 332.17 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 104923813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).