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

C10H11ClN2O2 — CID 168688103

IUPAC4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(O)c(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C10H11ClN2O2/c1-6-2-3-8(14)10(12-6)13-5-7(11)4-9(13)15/h2-3,7,14H,4-5H2,1H3
InChIKeyDXCSYEGGYBDDMQ-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.44
Rot. Bonds1

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

4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168688103) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168688103
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(O)c(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C10H11ClN2O2/c1-6-2-3-8(14)10(12-6)13-5-7(11)4-9(13)15/h2-3,7,14H,4-5H2,1H3
InChIKeyDXCSYEGGYBDDMQ-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-1-(3-hydroxy-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-(3-hydroxy-6-methyl-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670457
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
CID 168688156
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688168
1-(3-bromo-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688351
4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one
CID 168688290
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
4-chloro-1-(5-iodo-3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688270
1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one
CID 168689299
4-chloro-1-(3,5-dichloropyrazin-2-yl)pyrrolidin-2-one
CID 168688926

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one (CID 168688103) is 4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one is Cc1ccc(O)c(N2CC(Cl)CC2=O)n1.
What is the InChIKey of 4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is DXCSYEGGYBDDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6-2-3-8(14)10(12-6)13-5-7(11)4-9(13)15/h2-3,7,14H,4-5H2,1H3.
What are the key properties of 4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one?
4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 226.66 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168688103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).