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

C9H8Cl2N2O — CID 54331039

IUPAC1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O/c10-7-4-6(5-8(11)12-7)13-3-1-2-9(13)14/h4-5H,1-3H2
InChIKeySYJHLZHXQHBUMB-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.52
Rot. Bonds1

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

1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one (PubChem CID 54331039) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one
PubChem CID54331039
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O/c10-7-4-6(5-8(11)12-7)13-3-1-2-9(13)14/h4-5H,1-3H2
InChIKeySYJHLZHXQHBUMB-UHFFFAOYSA-N
XLogP2.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one (CID 54331039) is 1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one is O=C1CCCN1c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one?
The InChIKey is SYJHLZHXQHBUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c10-7-4-6(5-8(11)12-7)13-3-1-2-9(13)14/h4-5H,1-3H2.
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one?
1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one has a molecular weight of 231.08 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 54331039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).