2-bromo-5-fluoro-N-pyridin-3-ylbenzamide

C12H8BrFN2O — CID 24699857

IUPAC2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(F)ccc1Br
InChIInChI=1S/C12H8BrFN2O/c13-11-4-3-8(14)6-10(11)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17)
InChIKeyGXKXGKQITTWFPC-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.24
Rot. Bonds2

About 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide

2-bromo-5-fluoro-N-pyridin-3-ylbenzamide (PubChem CID 24699857) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
PubChem CID24699857
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC Name2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(F)ccc1Br
InChIInChI=1S/C12H8BrFN2O/c13-11-4-3-8(14)6-10(11)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17)
InChIKeyGXKXGKQITTWFPC-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

2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide
CID 110485373
2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
CID 113270977
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
3-amino-4-bromo-N-pyridin-3-ylbenzamide
CID 61090533
2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
CID 107019647
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide
CID 114217625
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
CID 43520358

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide (CID 24699857) is 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide?
The InChIKey is GXKXGKQITTWFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-11-4-3-8(14)6-10(11)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17).
What are the key properties of 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide?
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide 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 2-bromo-5-fluoro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 24699857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).