1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one

C9H9ClN2O2 — CID 168703439

IUPAC1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(Cl)nc1
InChIInChI=1S/C9H9ClN2O2/c10-8-2-1-6(4-11-8)12-5-7(13)3-9(12)14/h1-2,4,7,13H,3,5H2
InChIKeyBMTSPFWUZUJOBA-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.83
Rot. Bonds1

About 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one

1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703439) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703439
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(Cl)nc1
InChIInChI=1S/C9H9ClN2O2/c10-8-2-1-6(4-11-8)12-5-7(13)3-9(12)14/h1-2,4,7,13H,3,5H2
InChIKeyBMTSPFWUZUJOBA-UHFFFAOYSA-N
XLogP0.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702660
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702673
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one
CID 168702593
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one (CID 168703439) is 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is BMTSPFWUZUJOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-8-2-1-6(4-11-8)12-5-7(13)3-9(12)14/h1-2,4,7,13H,3,5H2.
What are the key properties of 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 212.64 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).