N-(5-bromo-2-pyridinyl)benzamide

C12H9BrN2O — CID 1244171

IUPACN-(5-bromo-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C12H9BrN2O/c13-10-6-7-11(14-8-10)15-12(16)9-4-2-1-3-5-9/h1-8H,(H,14,15,16)
InChIKeyMFKRAURWADCYQW-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.10
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)benzamide

N-(5-bromo-2-pyridinyl)benzamide (PubChem CID 1244171) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)benzamide
PubChem CID1244171
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC NameN-(5-bromo-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C12H9BrN2O/c13-10-6-7-11(14-8-10)15-12(16)9-4-2-1-3-5-9/h1-8H,(H,14,15,16)
InChIKeyMFKRAURWADCYQW-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)benzamide (CID 1244171) is N-(5-bromo-2-pyridinyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)benzamide is O=C(Nc1ccc(Br)cn1)c1ccccc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)benzamide?
The InChIKey is MFKRAURWADCYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-10-6-7-11(14-8-10)15-12(16)9-4-2-1-3-5-9/h1-8H,(H,14,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)benzamide?
N-(5-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-(5-bromo-2-pyridinyl)benzamide is sourced from PubChem (CID 1244171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).