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

C12H8BrFN2O — CID 52886230

IUPAC3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(F)cn1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrFN2O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,(H,15,16,17)
InChIKeyZVJWABAMAHYDCA-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.24
Rot. Bonds2

About 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide

3-bromo-N-(5-fluoro-2-pyridinyl)benzamide (PubChem CID 52886230) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
PubChem CID52886230
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC Name3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(F)cn1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrFN2O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,(H,15,16,17)
InChIKeyZVJWABAMAHYDCA-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-amino-2-pyridinyl)-3-bromobenzamide
CID 43144581
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481637
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
N-(5-fluoro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 65479896
N-(5-fluoro-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 65479688
2-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103754643

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide (CID 52886230) is 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide is O=C(Nc1ccc(F)cn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide?
The InChIKey is ZVJWABAMAHYDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,(H,15,16,17).
What are the key properties of 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide?
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide has a molecular weight of 295.11 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 52886230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).