(3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one

C10H11BrN2O2 — CID 170326708

IUPAC(3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cncc(Br)c2)C1=O
InChIInChI=1S/C10H11BrN2O2/c1-13-3-2-10(15,9(13)14)7-4-8(11)6-12-5-7/h4-6,15H,2-3H2,1H3/t10-/m1/s1
InChIKeyZALMFRLCWNEXPS-SNVBAGLBSA-N
MW271.11 g/mol
LogP0.89
Rot. Bonds1

About (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one

(3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170326708) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170326708
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cncc(Br)c2)C1=O
InChIInChI=1S/C10H11BrN2O2/c1-13-3-2-10(15,9(13)14)7-4-8(11)6-12-5-7/h4-6,15H,2-3H2,1H3/t10-/m1/s1
InChIKeyZALMFRLCWNEXPS-SNVBAGLBSA-N
XLogP0.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303332
(3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303279
(3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303229
(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 170327098
1-(5-bromo-3-pyridinyl)cyclohexan-1-ol
CID 121282621
(3S)-3-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170351361
3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 178130983
1-(5-bromo-3-pyridinyl)-2-ethylcyclopropan-1-ol
CID 79332912
(3R)-3-hydroxy-1-methyl-3-[5-[1-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]-3-pyridinyl]pyrrolidin-2-one
CID 170405441
3-hydroxy-1-methyl-3-[5-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-3-pyridinyl]pyrrolidin-2-one
CID 170573802
1-(5-bromo-3-pyridinyl)-2-propylcyclopropan-1-ol
CID 79332467
1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone
CID 130601241

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one (CID 170326708) is (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC[C@@](O)(c2cncc(Br)c2)C1=O.
What is the InChIKey of (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is ZALMFRLCWNEXPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-13-3-2-10(15,9(13)14)7-4-8(11)6-12-5-7/h4-6,15H,2-3H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one?
(3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 271.11 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170326708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).