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

C12H9BrN2O — CID 43520453

IUPACN-(6-bromo-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccccc1
InChIInChI=1S/C12H9BrN2O/c13-10-7-4-8-11(14-10)15-12(16)9-5-2-1-3-6-9/h1-8H,(H,14,15,16)
InChIKeyBSTNXGYMLYOSPA-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.10
Rot. Bonds2

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

N-(6-bromo-2-pyridinyl)benzamide (PubChem CID 43520453) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)benzamide
PubChem CID43520453
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC NameN-(6-bromo-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccccc1
InChIInChI=1S/C12H9BrN2O/c13-10-7-4-8-11(14-10)15-12(16)9-5-2-1-3-6-9/h1-8H,(H,14,15,16)
InChIKeyBSTNXGYMLYOSPA-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.10
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-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 43520523
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 59408764
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
6-benzamidopyridine-2-carboxamide
CID 69135492
N-(6-phenyl-2-pyridinyl)benzamide
CID 24949410
N-[6-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343745
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532470
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide
CID 103875844
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)benzamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)benzamide (CID 43520453) is N-(6-bromo-2-pyridinyl)benzamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)benzamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)benzamide is O=C(Nc1cccc(Br)n1)c1ccccc1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)benzamide?
The InChIKey is BSTNXGYMLYOSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-10-7-4-8-11(14-10)15-12(16)9-5-2-1-3-6-9/h1-8H,(H,14,15,16).
What are the key properties of N-(6-bromo-2-pyridinyl)benzamide?
N-(6-bromo-2-pyridinyl)benzamide has a molecular weight of 277.12 g/mol, XLogP of 3.10, 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)benzamide is sourced from PubChem (CID 43520453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).