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

C10H11ClN2O — CID 168688343

IUPAC4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C10H11ClN2O/c1-7-3-2-4-9(12-7)13-6-8(11)5-10(13)14/h2-4,8H,5-6H2,1H3
InChIKeyUNHHSUGUFFUYFU-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.73
Rot. Bonds1

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

4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168688343) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168688343
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C10H11ClN2O/c1-7-3-2-4-9(12-7)13-6-8(11)5-10(13)14/h2-4,8H,5-6H2,1H3
InChIKeyUNHHSUGUFFUYFU-UHFFFAOYSA-N
XLogP1.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-(6-methyl-2-pyridinyl)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-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168689770
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
[1-(6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676206
4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688103
4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168688188
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
CID 168688338
4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
CID 168688156
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
ethane;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 142348344
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one (CID 168688343) is 4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one is Cc1cccc(N2CC(Cl)CC2=O)n1.
What is the InChIKey of 4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is UNHHSUGUFFUYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7-3-2-4-9(12-7)13-6-8(11)5-10(13)14/h2-4,8H,5-6H2,1H3.
What are the key properties of 4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one?
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168688343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).