5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

C11H13BrN2O3 — CID 66261369

IUPAC5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H13BrN2O3/c12-8-1-2-10(16)14(5-8)7-11(17)13-4-3-9(15)6-13/h1-2,5,9,15H,3-4,6-7H2/t9-/m1/s1
InChIKeyCXYPTPSWHGLTRP-SECBINFHSA-N
MW301.14 g/mol
LogP0.20
Rot. Bonds2

About 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 66261369) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID66261369
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H13BrN2O3/c12-8-1-2-10(16)14(5-8)7-11(17)13-4-3-9(15)6-13/h1-2,5,9,15H,3-4,6-7H2/t9-/m1/s1
InChIKeyCXYPTPSWHGLTRP-SECBINFHSA-N
XLogP0.20
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 66261369) is 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CC[C@@H](O)C1.
What is the InChIKey of 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is CXYPTPSWHGLTRP-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-8-1-2-10(16)14(5-8)7-11(17)13-4-3-9(15)6-13/h1-2,5,9,15H,3-4,6-7H2/t9-/m1/s1.
What are the key properties of 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 301.14 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 66261369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).