1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one

C10H9BrCl2N2O — CID 168509146

IUPAC1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cc(Cl)c(Br)cn1
InChIInChI=1S/C10H9BrCl2N2O/c11-7-4-14-9(2-8(7)13)15-5-6(3-12)1-10(15)16/h2,4,6H,1,3,5H2
InChIKeyJIVHEDHWCQAGNM-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.09
Rot. Bonds2

About 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one

1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one (PubChem CID 168509146) has the molecular formula C10H9BrCl2N2O and a molecular weight of 324.01 g/mol. Its IUPAC name is 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
PubChem CID168509146
Molecular FormulaC10H9BrCl2N2O
Molecular Weight324.01 g/mol
Exact Mass321.93
IUPAC Name1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cc(Cl)c(Br)cn1
InChIInChI=1S/C10H9BrCl2N2O/c11-7-4-14-9(2-8(7)13)15-5-6(3-12)1-10(15)16/h2,4,6H,1,3,5H2
InChIKeyJIVHEDHWCQAGNM-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 53.09
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

4-(chloromethyl)-1-(3,5-dibromo-4-chloro-2-pyridinyl)pyrrolidin-2-one
CID 168509171
S-[1-(5-bromo-4-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706903
1-(3-amino-2,5-dibromo-4-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508541
1-(4-chloro-5-iodo-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671829
1-(4-amino-2,5-dibromo-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508540
1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508593
5-bromo-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168505824
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507963
5-bromo-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168671826
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
[1-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674232

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one (CID 168509146) is 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1cc(Cl)c(Br)cn1.
What is the InChIKey of 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one?
The InChIKey is JIVHEDHWCQAGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2N2O/c11-7-4-14-9(2-8(7)13)15-5-6(3-12)1-10(15)16/h2,4,6H,1,3,5H2.
What are the key properties of 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one?
1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one has a molecular weight of 324.01 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one is sourced from PubChem (CID 168509146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).