N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide

C10H10BrN3O2 — CID 43520512

IUPACN-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(Br)n2)N1
InChIInChI=1S/C10H10BrN3O2/c11-7-2-1-3-8(13-7)14-10(16)6-4-5-9(15)12-6/h1-3,6H,4-5H2,(H,12,15)(H,13,14,16)
InChIKeyNTXGBJLTQZGMJK-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.06
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide

N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 43520512) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID43520512
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC NameN-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(Br)n2)N1
InChIInChI=1S/C10H10BrN3O2/c11-7-2-1-3-8(13-7)14-10(16)6-4-5-9(15)12-6/h1-3,6H,4-5H2,(H,12,15)(H,13,14,16)
InChIKeyNTXGBJLTQZGMJK-UHFFFAOYSA-N
XLogP1.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (CID 43520512) is N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2cccc(Br)n2)N1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NTXGBJLTQZGMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-7-2-1-3-8(13-7)14-10(16)6-4-5-9(15)12-6/h1-3,6H,4-5H2,(H,12,15)(H,13,14,16).
What are the key properties of N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 284.11 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 43520512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).