1-(6-iodo-2-pyridinyl)pyrrolidin-2-one

C9H9IN2O — CID 146969980

IUPAC1-(6-iodo-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(I)n1
InChIInChI=1S/C9H9IN2O/c10-7-3-1-4-8(11-7)12-6-2-5-9(12)13/h1,3-4H,2,5-6H2
InChIKeyAMFSWTXYUKOYJJ-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.81
Rot. Bonds1

About 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one

1-(6-iodo-2-pyridinyl)pyrrolidin-2-one (PubChem CID 146969980) has the molecular formula C9H9IN2O and a molecular weight of 288.09 g/mol. Its IUPAC name is 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-iodo-2-pyridinyl)pyrrolidin-2-one
PubChem CID146969980
Molecular FormulaC9H9IN2O
Molecular Weight288.09 g/mol
Exact Mass287.98
IUPAC Name1-(6-iodo-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(I)n1
InChIInChI=1S/C9H9IN2O/c10-7-3-1-4-8(11-7)12-6-2-5-9(12)13/h1,3-4H,2,5-6H2
InChIKeyAMFSWTXYUKOYJJ-UHFFFAOYSA-N
XLogP1.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 142348344
1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 166608825
1-(5-ethyl-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 166909775
1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
CID 130498002
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
CID 50742723
4-bromo-N-(6-bromo-2-pyridinyl)butanamide;1-(6-bromo-2-pyridinyl)pyrrolidin-2-one
CID 161365871
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one
CID 24845643
6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144568295
1-(4-chloro-2-methylpyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-one
CID 178130696
1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one
CID 66749996
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125

Frequently Asked Questions

What is the IUPAC name of 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one (CID 146969980) is 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one is O=C1CCCN1c1cccc(I)n1.
What is the InChIKey of 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is AMFSWTXYUKOYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O/c10-7-3-1-4-8(11-7)12-6-2-5-9(12)13/h1,3-4H,2,5-6H2.
What are the key properties of 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one?
1-(6-iodo-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 288.09 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iodo-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 146969980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).