N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide

C11H13BrN2O2 — CID 47461932

IUPACN-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1cccc(Br)n1
InChIInChI=1S/C11H13BrN2O2/c12-9-4-1-5-10(13-9)14-11(15)7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H,13,14,15)
InChIKeyJMLWHMZIEZVVAP-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.35
Rot. Bonds3

About N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide

N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide (PubChem CID 47461932) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
PubChem CID47461932
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1cccc(Br)n1
InChIInChI=1S/C11H13BrN2O2/c12-9-4-1-5-10(13-9)14-11(15)7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H,13,14,15)
InChIKeyJMLWHMZIEZVVAP-UHFFFAOYSA-N
XLogP2.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
3-bromo-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156898
N-(6-chloropyrazin-2-yl)-2-(oxolan-2-yl)acetamide
CID 104819962
N-(6-bromo-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 110614780
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
2-[(2R)-oxolan-2-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 129403217
N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 95620224
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)acetamide
CID 154755202

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide (CID 47461932) is N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is JMLWHMZIEZVVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-4-1-5-10(13-9)14-11(15)7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H,13,14,15).
What are the key properties of N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide?
N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 285.14 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 47461932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).