5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one

C10H10BrClN2O2 — CID 168509304

IUPAC5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
SMILESO=C1CC(CCl)CN1c1cc(Br)c[nH]c1=O
InChIInChI=1S/C10H10BrClN2O2/c11-7-2-8(10(16)13-4-7)14-5-6(3-12)1-9(14)15/h2,4,6H,1,3,5H2,(H,13,16)
InChIKeyYVGHCWWUJULFHV-UHFFFAOYSA-N
MW305.56 g/mol
LogP1.73
Rot. Bonds2

About 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one

5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one (PubChem CID 168509304) has the molecular formula C10H10BrClN2O2 and a molecular weight of 305.56 g/mol. Its IUPAC name is 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
PubChem CID168509304
Molecular FormulaC10H10BrClN2O2
Molecular Weight305.56 g/mol
Exact Mass303.96
IUPAC Name5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
SMILESO=C1CC(CCl)CN1c1cc(Br)c[nH]c1=O
InChIInChI=1S/C10H10BrClN2O2/c11-7-2-8(10(16)13-4-7)14-5-6(3-12)1-9(14)15/h2,4,6H,1,3,5H2,(H,13,16)
InChIKeyYVGHCWWUJULFHV-UHFFFAOYSA-N
XLogP1.73
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one (CID 168509304) is 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one is O=C1CC(CCl)CN1c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The InChIKey is YVGHCWWUJULFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O2/c11-7-2-8(10(16)13-4-7)14-5-6(3-12)1-9(14)15/h2,4,6H,1,3,5H2,(H,13,16).
What are the key properties of 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one has a molecular weight of 305.56 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 168509304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).