1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one

C9H8Cl2N2O2 — CID 168703824

IUPAC1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O2/c10-7-1-5(2-8(11)12-7)13-4-6(14)3-9(13)15/h1-2,6,14H,3-4H2
InChIKeyVTYTWWCVTDOETR-UHFFFAOYSA-N
MW247.08 g/mol
LogP1.49
Rot. Bonds1

About 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one

1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703824) has the molecular formula C9H8Cl2N2O2 and a molecular weight of 247.08 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703824
Molecular FormulaC9H8Cl2N2O2
Molecular Weight247.08 g/mol
Exact Mass246.00
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O2/c10-7-1-5(2-8(11)12-7)13-4-6(14)3-9(13)15/h1-2,6,14H,3-4H2
InChIKeyVTYTWWCVTDOETR-UHFFFAOYSA-N
XLogP1.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 51.49
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

1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692144
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
S-[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707114
2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168703795
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703474
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one (CID 168703824) is 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is VTYTWWCVTDOETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2/c10-7-1-5(2-8(11)12-7)13-4-6(14)3-9(13)15/h1-2,6,14H,3-4H2.
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one?
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 247.08 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).