5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide

C10H9BrClN3O2 — CID 103951497

IUPAC5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
SMILESO=C1CC(NC(=O)c2cc(Br)cnc2Cl)CN1
InChIInChI=1S/C10H9BrClN3O2/c11-5-1-7(9(12)14-3-5)10(17)15-6-2-8(16)13-4-6/h1,3,6H,2,4H2,(H,13,16)(H,15,17)
InChIKeyCJOAIYZJXDMVPU-UHFFFAOYSA-N
MW318.56 g/mol
LogP1.12
Rot. Bonds2

About 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 103951497) has the molecular formula C10H9BrClN3O2 and a molecular weight of 318.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID103951497
Molecular FormulaC10H9BrClN3O2
Molecular Weight318.56 g/mol
Exact Mass316.96
IUPAC Name5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
SMILESO=C1CC(NC(=O)c2cc(Br)cnc2Cl)CN1
InChIInChI=1S/C10H9BrClN3O2/c11-5-1-7(9(12)14-3-5)10(17)15-6-2-8(16)13-4-6/h1,3,6H,2,4H2,(H,13,16)(H,15,17)
InChIKeyCJOAIYZJXDMVPU-UHFFFAOYSA-N
XLogP1.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 114157018
1-chloro-N-(5-oxopyrrolidin-3-yl)isoquinoline-4-carboxamide
CID 106834451
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
2-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106197793
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027
5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670012
5-bromo-2-(ethylamino)-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 63662359
6-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 113429241
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928
5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
CID 115635717

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide (CID 103951497) is 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide is O=C1CC(NC(=O)c2cc(Br)cnc2Cl)CN1.
What is the InChIKey of 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is CJOAIYZJXDMVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O2/c11-5-1-7(9(12)14-3-5)10(17)15-6-2-8(16)13-4-6/h1,3,6H,2,4H2,(H,13,16)(H,15,17).
What are the key properties of 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 318.56 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103951497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).