4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one

C10H10ClN3O3 — CID 168688188

IUPAC4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
SMILESCc1nc(N2CC(Cl)CC2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O3/c1-6-8(14(16)17)2-3-9(12-6)13-5-7(11)4-10(13)15/h2-3,7H,4-5H2,1H3
InChIKeyFBVKXHXBIJYADY-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.64
Rot. Bonds2

About 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one

4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168688188) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
PubChem CID168688188
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
SMILESCc1nc(N2CC(Cl)CC2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O3/c1-6-8(14(16)17)2-3-9(12-6)13-5-7(11)4-10(13)15/h2-3,7H,4-5H2,1H3
InChIKeyFBVKXHXBIJYADY-UHFFFAOYSA-N
XLogP1.64
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711787
1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714455
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
4-chloro-1-(4-nitronaphthalen-1-yl)pyrrolidin-2-one
CID 168689019
4-chloro-1-(5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168687807
4-chloro-1-(4-methoxy-3-nitrophenyl)pyrrolidin-2-one
CID 168687844
1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168689770
methyl 2-(4-chloro-2-oxopyrrolidin-1-yl)-3-nitrobenzoate
CID 168687726
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711783
1-(4-bromo-5-fluoro-2-nitrophenyl)-4-chloropyrrolidin-2-one
CID 168688998

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one (CID 168688188) is 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one is Cc1nc(N2CC(Cl)CC2=O)ccc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is FBVKXHXBIJYADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c1-6-8(14(16)17)2-3-9(12-6)13-5-7(11)4-10(13)15/h2-3,7H,4-5H2,1H3.
What are the key properties of 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?
4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 255.66 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168688188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).