5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one

C10H11BrFN3O — CID 104924301

IUPAC5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNc2ncc(Br)cc2F)N1
InChIInChI=1S/C10H11BrFN3O/c11-6-3-8(12)10(13-4-6)14-5-7-1-2-9(16)15-7/h3-4,7H,1-2,5H2,(H,13,14)(H,15,16)
InChIKeyDPEGLHHXEDCADS-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.67
Rot. Bonds3

About 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one

5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one (PubChem CID 104924301) has the molecular formula C10H11BrFN3O and a molecular weight of 288.12 g/mol. Its IUPAC name is 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
PubChem CID104924301
Molecular FormulaC10H11BrFN3O
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNc2ncc(Br)cc2F)N1
InChIInChI=1S/C10H11BrFN3O/c11-6-3-8(12)10(13-4-6)14-5-7-1-2-9(16)15-7/h3-4,7H,1-2,5H2,(H,13,14)(H,15,16)
InChIKeyDPEGLHHXEDCADS-UHFFFAOYSA-N
XLogP1.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one (CID 104924301) is 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one is O=C1CCC(CNc2ncc(Br)cc2F)N1.
What is the InChIKey of 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is DPEGLHHXEDCADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O/c11-6-3-8(12)10(13-4-6)14-5-7-1-2-9(16)15-7/h3-4,7H,1-2,5H2,(H,13,14)(H,15,16).
What are the key properties of 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 288.12 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 104924301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).