(5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one

C10H11BrN2O2 — CID 164636009

IUPAC(5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](COc2ncccc2Br)N1
InChIInChI=1S/C10H11BrN2O2/c11-8-2-1-5-12-10(8)15-6-7-3-4-9(14)13-7/h1-2,5,7H,3-4,6H2,(H,13,14)/t7-/m1/s1
InChIKeyIFTQTTFMPOSOPG-SSDOTTSWSA-N
MW271.11 g/mol
LogP1.50
Rot. Bonds3

About (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one

(5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one (PubChem CID 164636009) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one
PubChem CID164636009
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](COc2ncccc2Br)N1
InChIInChI=1S/C10H11BrN2O2/c11-8-2-1-5-12-10(8)15-6-7-3-4-9(14)13-7/h1-2,5,7H,3-4,6H2,(H,13,14)/t7-/m1/s1
InChIKeyIFTQTTFMPOSOPG-SSDOTTSWSA-N
XLogP1.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one (CID 164636009) is (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one is O=C1CC[C@H](COc2ncccc2Br)N1.
What is the InChIKey of (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one?
The InChIKey is IFTQTTFMPOSOPG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-2-1-5-12-10(8)15-6-7-3-4-9(14)13-7/h1-2,5,7H,3-4,6H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one?
(5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one has a molecular weight of 271.11 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3-bromo-2-pyridinyl)oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 164636009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).