4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one

C10H10ClN3O3 — CID 168509536

IUPAC4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O3/c11-5-7-4-9(15)13(6-7)8-2-1-3-12-10(8)14(16)17/h1-3,7H,4-6H2
InChIKeyBLYYMFREWDAKHP-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.58
Rot. Bonds3

About 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one

4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168509536) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one
PubChem CID168509536
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O3/c11-5-7-4-9(15)13(6-7)8-2-1-3-12-10(8)14(16)17/h1-3,7H,4-6H2
InChIKeyBLYYMFREWDAKHP-UHFFFAOYSA-N
XLogP1.58
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.58
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

4-(chloromethyl)-1-(3-methyl-2-nitrophenyl)pyrrolidin-2-one
CID 168508019
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192
4-(chloromethyl)-1-(5-fluoro-2-nitrophenyl)pyrrolidin-2-one
CID 168508754
1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509484
1-(4-bromo-3-chloro-2-nitrophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508979
4-(chloromethyl)-1-pyrimidin-4-ylpyrrolidin-2-one
CID 168509710
1-(5-bromoquinoxalin-6-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509059
1-(2-amino-5-fluoro-4-nitrophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508651
4-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168509216
1-(4-acetyl-2-nitrophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507052
4-(chloromethyl)-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168507973
1-(5-bromo-3-nitro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508675

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one (CID 168509536) is 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1cccnc1[N+](=O)[O-].
What is the InChIKey of 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is BLYYMFREWDAKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-5-7-4-9(15)13(6-7)8-2-1-3-12-10(8)14(16)17/h1-3,7H,4-6H2.
What are the key properties of 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 255.66 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-nitro-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168509536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).