4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one

C11H12Cl2N2O — CID 168507873

IUPAC4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CCl)CC2=O)c(Cl)n1
InChIInChI=1S/C11H12Cl2N2O/c1-7-2-3-9(11(13)14-7)15-6-8(5-12)4-10(15)16/h2-3,8H,4-6H2,1H3
InChIKeyDQORSUGPQCGWOC-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.64
Rot. Bonds2

About 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one

4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168507873) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one
PubChem CID168507873
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CCl)CC2=O)c(Cl)n1
InChIInChI=1S/C11H12Cl2N2O/c1-7-2-3-9(11(13)14-7)15-6-8(5-12)4-10(15)16/h2-3,8H,4-6H2,1H3
InChIKeyDQORSUGPQCGWOC-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.64
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

1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708954
1-(2-amino-6-chloro-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508785
4-(chloromethyl)-1-(2-chloro-4-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168507867
S-[1-(2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705628
methyl 1-(2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693793
4-(chloromethyl)-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168507753
1-(2-acetyl-4-chlorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507046
1-(2-amino-4-chloro-5-methylphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507706
1-(6-bromo-4-methyl-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507917
4-(chloromethyl)-1-(2-iodo-5-methylphenyl)pyrrolidin-2-one
CID 168507760
4-(aminomethyl)-1-(6-chloro-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659881
4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one
CID 168507800

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one (CID 168507873) is 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one is Cc1ccc(N2CC(CCl)CC2=O)c(Cl)n1.
What is the InChIKey of 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is DQORSUGPQCGWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-7-2-3-9(11(13)14-7)15-6-8(5-12)4-10(15)16/h2-3,8H,4-6H2,1H3.
What are the key properties of 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 259.14 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168507873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).