2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide

C12H7Br2FN2O — CID 43520358

IUPAC2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
SMILESO=C(Nc1cccc(Br)n1)c1cc(F)ccc1Br
InChIInChI=1S/C12H7Br2FN2O/c13-9-5-4-7(15)6-8(9)12(18)17-11-3-1-2-10(14)16-11/h1-6H,(H,16,17,18)
InChIKeyYMSOZGHKGFEMBK-UHFFFAOYSA-N
MW374.01 g/mol
LogP4.00
Rot. Bonds2

About 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide

2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide (PubChem CID 43520358) has the molecular formula C12H7Br2FN2O and a molecular weight of 374.01 g/mol. Its IUPAC name is 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
PubChem CID43520358
Molecular FormulaC12H7Br2FN2O
Molecular Weight374.01 g/mol
Exact Mass371.89
IUPAC Name2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
SMILESO=C(Nc1cccc(Br)n1)c1cc(F)ccc1Br
InChIInChI=1S/C12H7Br2FN2O/c13-9-5-4-7(15)6-8(9)12(18)17-11-3-1-2-10(14)16-11/h1-6H,(H,16,17,18)
InChIKeyYMSOZGHKGFEMBK-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.01
LogP ≤ 54.00
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)-2,5-difluorobenzamide
CID 43520386
N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide
CID 55134915
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
2-bromo-5-fluoro-N-quinolin-2-ylbenzamide
CID 51265955
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide (CID 43520358) is 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide is O=C(Nc1cccc(Br)n1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide?
The InChIKey is YMSOZGHKGFEMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FN2O/c13-9-5-4-7(15)6-8(9)12(18)17-11-3-1-2-10(14)16-11/h1-6H,(H,16,17,18).
What are the key properties of 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide?
2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide has a molecular weight of 374.01 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide is sourced from PubChem (CID 43520358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).