4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one

C11H12BrClN2O — CID 168505091

IUPAC4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H12BrClN2O/c12-4-9-3-11(16)15(7-9)6-8-1-2-10(13)14-5-8/h1-2,5,9H,3-4,6-7H2
InChIKeyGKIWPOHHKVRWAC-UHFFFAOYSA-N
MW303.59 g/mol
LogP2.48
Rot. Bonds3

About 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one

4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 168505091) has the molecular formula C11H12BrClN2O and a molecular weight of 303.59 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID168505091
Molecular FormulaC11H12BrClN2O
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC Name4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H12BrClN2O/c12-4-9-3-11(16)15(7-9)6-8-1-2-10(13)14-5-8/h1-2,5,9H,3-4,6-7H2
InChIKeyGKIWPOHHKVRWAC-UHFFFAOYSA-N
XLogP2.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168660327
1-[(6-chloro-3-pyridinyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709493
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
1-[(4-bromo-3-chlorophenyl)methyl]-4-(bromomethyl)pyrrolidin-2-one
CID 168505063
4-(bromomethyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-one
CID 168505088
4-(bromomethyl)-1-[2-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168504956
4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
CID 178122073
4-(bromomethyl)-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one
CID 168504374
4-(bromomethyl)-1-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 168505147
1-[(5-bromo-2-chlorophenyl)methyl]-4-(bromomethyl)pyrrolidin-2-one
CID 168505056
[5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673832

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one (CID 168505091) is 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one is O=C1CC(CBr)CN1Cc1ccc(Cl)nc1.
What is the InChIKey of 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is GKIWPOHHKVRWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O/c12-4-9-3-11(16)15(7-9)6-8-1-2-10(13)14-5-8/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 303.59 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168505091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).