[(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol

C9H11BrFN3O — CID 128979484

IUPAC[(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1c1ncc(Br)cn1
InChIInChI=1S/C9H11BrFN3O/c10-6-2-12-9(13-3-6)14-4-7(11)1-8(14)5-15/h2-3,7-8,15H,1,4-5H2/t7-,8-/m0/s1
InChIKeyOSEFNMZTWQMVBU-YUMQZZPRSA-N
MW276.11 g/mol
LogP1.15
Rot. Bonds2

About [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128979484) has the molecular formula C9H11BrFN3O and a molecular weight of 276.11 g/mol. Its IUPAC name is [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128979484
Molecular FormulaC9H11BrFN3O
Molecular Weight276.11 g/mol
Exact Mass275.01
IUPAC Name[(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1c1ncc(Br)cn1
InChIInChI=1S/C9H11BrFN3O/c10-6-2-12-9(13-3-6)14-4-7(11)1-8(14)5-15/h2-3,7-8,15H,1,4-5H2/t7-,8-/m0/s1
InChIKeyOSEFNMZTWQMVBU-YUMQZZPRSA-N
XLogP1.15
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol (CID 128979484) is [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1c1ncc(Br)cn1.
What is the InChIKey of [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is OSEFNMZTWQMVBU-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H11BrFN3O/c10-6-2-12-9(13-3-6)14-4-7(11)1-8(14)5-15/h2-3,7-8,15H,1,4-5H2/t7-,8-/m0/s1.
What are the key properties of [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 276.11 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(5-bromopyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).