4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one

C10H10BrFN2O — CID 168505869

IUPAC4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ncccc1F
InChIInChI=1S/C10H10BrFN2O/c11-5-7-4-9(15)14(6-7)10-8(12)2-1-3-13-10/h1-3,7H,4-6H2
InChIKeyAVLGELIIICPZQK-UHFFFAOYSA-N
MW273.10 g/mol
LogP1.97
Rot. Bonds2

About 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one

4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168505869) has the molecular formula C10H10BrFN2O and a molecular weight of 273.10 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
PubChem CID168505869
Molecular FormulaC10H10BrFN2O
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ncccc1F
InChIInChI=1S/C10H10BrFN2O/c11-5-7-4-9(15)14(6-7)10-8(12)2-1-3-13-10/h1-3,7H,4-6H2
InChIKeyAVLGELIIICPZQK-UHFFFAOYSA-N
XLogP1.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde
CID 168505901
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663841
4-(bromomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168505878
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-chloropyridine-3-carbaldehyde
CID 168506365
[1-(3-bromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677375
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192
1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671870
4-(bromomethyl)-1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505232
4-(bromomethyl)-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 168505640

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one (CID 168505869) is 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1ncccc1F.
What is the InChIKey of 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is AVLGELIIICPZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c11-5-7-4-9(15)14(6-7)10-8(12)2-1-3-13-10/h1-3,7H,4-6H2.
What are the key properties of 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 273.10 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168505869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).