1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one

C10H11BrN2O2 — CID 168663841

IUPAC1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ncccc1Br
InChIInChI=1S/C10H11BrN2O2/c11-8-2-1-3-12-10(8)13-5-7(6-14)4-9(13)15/h1-3,7,14H,4-6H2
InChIKeyQSGGRVOHQSGTIU-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.19
Rot. Bonds2

About 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663841) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663841
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ncccc1Br
InChIInChI=1S/C10H11BrN2O2/c11-8-2-1-3-12-10(8)13-5-7(6-14)4-9(13)15/h1-3,7,14H,4-6H2
InChIKeyQSGGRVOHQSGTIU-UHFFFAOYSA-N
XLogP1.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677375
1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686184
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
1-(5-bromonaphthalen-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663904
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192
4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168505869
4-(hydroxymethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168662622
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671870
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde
CID 168505901

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663841) is 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is QSGGRVOHQSGTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-2-1-3-12-10(8)13-5-7(6-14)4-9(13)15/h1-3,7,14H,4-6H2.
What are the key properties of 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 271.11 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).