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

C11H12Cl2N2O — CID 168508472

IUPAC4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1Cc1cccc(Cl)n1
InChIInChI=1S/C11H12Cl2N2O/c12-5-8-4-11(16)15(6-8)7-9-2-1-3-10(13)14-9/h1-3,8H,4-7H2
InChIKeyNZMMKIWASOEZTN-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.32
Rot. Bonds3

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

4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 168508472) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID168508472
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1Cc1cccc(Cl)n1
InChIInChI=1S/C11H12Cl2N2O/c12-5-8-4-11(16)15(6-8)7-9-2-1-3-10(13)14-9/h1-3,8H,4-7H2
InChIKeyNZMMKIWASOEZTN-UHFFFAOYSA-N
XLogP2.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.32
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'}

Analyze 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474
4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168508497
1-(2-amino-6-chloro-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508785
1-[(6-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79240099
1-[(6-chloro-2-pyridinyl)methyl]-5-propylazepan-2-one
CID 79240264
1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
CID 79240754
4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one
CID 168508503
1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperidin-2-one
CID 104680078
4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
CID 168508451
4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 13422569
4-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168507984
4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
CID 168506959

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one (CID 168508472) is 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one is O=C1CC(CCl)CN1Cc1cccc(Cl)n1.
What is the InChIKey of 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is NZMMKIWASOEZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-5-8-4-11(16)15(6-8)7-9-2-1-3-10(13)14-9/h1-3,8H,4-7H2.
What are the key properties of 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one?
4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 259.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168508472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).