4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one

C10H8Br2Cl2N2O — CID 168509171

IUPAC4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ncc(Br)c(Cl)c1Br
InChIInChI=1S/C10H8Br2Cl2N2O/c11-6-3-15-10(8(12)9(6)14)16-4-5(2-13)1-7(16)17/h3,5H,1-2,4H2
InChIKeyFFQOBHXWNBLFQP-UHFFFAOYSA-N
MW402.90 g/mol
LogP3.85
Rot. Bonds2

About 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one

4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168509171) has the molecular formula C10H8Br2Cl2N2O and a molecular weight of 402.90 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one
PubChem CID168509171
Molecular FormulaC10H8Br2Cl2N2O
Molecular Weight402.90 g/mol
Exact Mass399.84
IUPAC Name4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ncc(Br)c(Cl)c1Br
InChIInChI=1S/C10H8Br2Cl2N2O/c11-6-3-15-10(8(12)9(6)14)16-4-5(2-13)1-7(16)17/h3,5H,1-2,4H2
InChIKeyFFQOBHXWNBLFQP-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509146
1-(3-amino-2,5-dibromo-4-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508541
1-(4-amino-2,5-dibromo-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508540
1-(5-amino-2-chloropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509113
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
1-(5-bromo-3-nitro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508675
1-(6-bromo-4-methyl-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507917
1-(6-chloro-5-fluoropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509199
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one (CID 168509171) is 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ncc(Br)c(Cl)c1Br.
What is the InChIKey of 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is FFQOBHXWNBLFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2Cl2N2O/c11-6-3-15-10(8(12)9(6)14)16-4-5(2-13)1-7(16)17/h3,5H,1-2,4H2.
What are the key properties of 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 402.90 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168509171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).