1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one

C11H10ClN3O3 — CID 168686131

IUPAC1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H10ClN3O3/c1-2-7-5-10(16)14(6-7)11-8(15(17)18)3-4-9(12)13-11/h2-4,7H,1,5-6H2
InChIKeyLMAXRVJEASEGLR-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.18
Rot. Bonds3

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

1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686131) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one
PubChem CID168686131
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H10ClN3O3/c1-2-7-5-10(16)14(6-7)11-8(15(17)18)3-4-9(12)13-11/h2-4,7H,1,5-6H2
InChIKeyLMAXRVJEASEGLR-UHFFFAOYSA-N
XLogP2.18
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-3-nitro-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710216
[1-(6-chloro-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682809
1-(3-bromo-6-chloropyrazin-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686615
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
1-(5-chloro-2-hydroxy-4-nitrophenyl)-4-ethenylpyrrolidin-2-one
CID 168685655
4-ethenyl-1-(3-fluoro-2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168684660
6-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-3-nitropyridine
CID 79180812
4-ethenyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-2-one
CID 168684764
2-(6-chloro-3-nitro-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856689
4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168662648
(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine
CID 104959790
2-chloro-4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168686133

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one (CID 168686131) is 1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2nc(Cl)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is LMAXRVJEASEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-2-7-5-10(16)14(6-7)11-8(15(17)18)3-4-9(12)13-11/h2-4,7H,1,5-6H2.
What are the key properties of 1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 267.67 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-nitro-2-pyridinyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).