1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one

C10H8Cl2N2O2 — CID 106993470

IUPAC1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H8Cl2N2O2/c11-7-4-3-6(9(12)13-7)10(16)14-5-1-2-8(14)15/h3-4H,1-2,5H2
InChIKeyWAFCYMGFVHHEAG-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.15
Rot. Bonds1

About 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one

1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one (PubChem CID 106993470) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one
PubChem CID106993470
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H8Cl2N2O2/c11-7-4-3-6(9(12)13-7)10(16)14-5-1-2-8(14)15/h3-4H,1-2,5H2
InChIKeyWAFCYMGFVHHEAG-UHFFFAOYSA-N
XLogP2.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorobenzoyl)pyrrolidin-2-one
CID 15614171
1-(1-chloroisoquinoline-3-carbonyl)pyrrolidin-2-one
CID 61215483
1-(2-fluorobenzoyl)pyrrolidin-2-one
CID 770090
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520
4-(2,6-dichloropyridine-3-carbonyl)-1,4-diazepan-2-one
CID 106994002
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 2633537
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993357
4-(2-oxoazepane-1-carbonyl)benzoyl chloride
CID 71445417
1-(2,6-dichloro-3-pyridinyl)-2,2,2-trifluoroethanone
CID 71301905
2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
CID 159765877
(2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 103714430

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one (CID 106993470) is 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one is O=C1CCCN1C(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one?
The InChIKey is WAFCYMGFVHHEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-7-4-3-6(9(12)13-7)10(16)14-5-1-2-8(14)15/h3-4H,1-2,5H2.
What are the key properties of 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one?
1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one has a molecular weight of 259.09 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 106993470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).