1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C10H9BrClN3O2 — CID 168698278

IUPAC1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)cnc2Br)C1
InChIInChI=1S/C10H9BrClN3O2/c11-9-7(2-6(12)3-14-9)15-4-5(10(13)17)1-8(15)16/h2-3,5H,1,4H2,(H2,13,17)
InChIKeyJKRNMQLLLXXCFR-UHFFFAOYSA-N
MW318.56 g/mol
LogP1.34
Rot. Bonds2

About 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698278) has the molecular formula C10H9BrClN3O2 and a molecular weight of 318.56 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698278
Molecular FormulaC10H9BrClN3O2
Molecular Weight318.56 g/mol
Exact Mass316.96
IUPAC Name1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)cnc2Br)C1
InChIInChI=1S/C10H9BrClN3O2/c11-9-7(2-6(12)3-14-9)15-4-5(10(13)17)1-8(15)16/h2-3,5H,1,4H2,(H2,13,17)
InChIKeyJKRNMQLLLXXCFR-UHFFFAOYSA-N
XLogP1.34
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715944
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697511
methyl 5-bromo-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696387
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 168698278) is 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(Cl)cnc2Br)C1.
What is the InChIKey of 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JKRNMQLLLXXCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O2/c11-9-7(2-6(12)3-14-9)15-4-5(10(13)17)1-8(15)16/h2-3,5H,1,4H2,(H2,13,17).
What are the key properties of 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.56 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).