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

C10H11BrN2O2 — CID 168663955

IUPAC1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccnc(Br)c1
InChIInChI=1S/C10H11BrN2O2/c11-9-4-8(1-2-12-9)13-5-7(6-14)3-10(13)15/h1-2,4,7,14H,3,5-6H2
InChIKeyROIKTXPNVYXYMH-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.19
Rot. Bonds2

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

1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663955) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663955
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccnc(Br)c1
InChIInChI=1S/C10H11BrN2O2/c11-9-4-8(1-2-12-9)13-5-7(6-14)3-10(13)15/h1-2,4,7,14H,3,5-6H2
InChIKeyROIKTXPNVYXYMH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663841
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664302
4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168664094
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662678
1-(3-bromo-5-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 107579664
4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
CID 168505992
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663955) is 1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ccnc(Br)c1.
What is the InChIKey of 1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is ROIKTXPNVYXYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-9-4-8(1-2-12-9)13-5-7(6-14)3-10(13)15/h1-2,4,7,14H,3,5-6H2.
What are the key properties of 1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(2-bromo-4-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-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).