N-(6-bromo-2-pyridinyl)propanamide

C8H9BrN2O — CID 43520454

IUPACN-(6-bromo-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1cccc(Br)n1
InChIInChI=1S/C8H9BrN2O/c1-2-8(12)11-7-5-3-4-6(9)10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyCAQDAMNANHCDRI-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.19
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)propanamide

N-(6-bromo-2-pyridinyl)propanamide (PubChem CID 43520454) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)propanamide
PubChem CID43520454
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN-(6-bromo-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1cccc(Br)n1
InChIInChI=1S/C8H9BrN2O/c1-2-8(12)11-7-5-3-4-6(9)10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyCAQDAMNANHCDRI-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-(6-bromo-2-pyridinyl)-3-propoxypropanamide
CID 62717521
4-bromo-N-(6-bromo-2-pyridinyl)butanamide
CID 134366786
N-(6-bromo-2-pyridinyl)but-3-enamide
CID 62677588
2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
CID 126623961
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide
CID 130161849
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
N-(6-bromo-2-pyridinyl)-4-butylcyclohexane-1-carboxamide
CID 43520432
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)propanamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)propanamide (CID 43520454) is N-(6-bromo-2-pyridinyl)propanamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)propanamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)propanamide is CCC(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)propanamide?
The InChIKey is CAQDAMNANHCDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-2-8(12)11-7-5-3-4-6(9)10-7/h3-5H,2H2,1H3,(H,10,11,12).
What are the key properties of N-(6-bromo-2-pyridinyl)propanamide?
N-(6-bromo-2-pyridinyl)propanamide has a molecular weight of 229.08 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)propanamide is sourced from PubChem (CID 43520454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).