N-(6-bromo-3-pyridinyl)-4-fluorobenzamide

C12H8BrFN2O — CID 44602373

IUPACN-(6-bromo-3-pyridinyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccc(F)cc1
InChIInChI=1S/C12H8BrFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
InChIKeyXJXWZWASTJPHOZ-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.24
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-4-fluorobenzamide

N-(6-bromo-3-pyridinyl)-4-fluorobenzamide (PubChem CID 44602373) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-4-fluorobenzamide
PubChem CID44602373
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC NameN-(6-bromo-3-pyridinyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccc(F)cc1
InChIInChI=1S/C12H8BrFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
InChIKeyXJXWZWASTJPHOZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051412
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 103789326
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114051737
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430
6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 66462687
4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide
CID 169324519

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-4-fluorobenzamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-4-fluorobenzamide (CID 44602373) is N-(6-bromo-3-pyridinyl)-4-fluorobenzamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-4-fluorobenzamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-4-fluorobenzamide is O=C(Nc1ccc(Br)nc1)c1ccc(F)cc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-4-fluorobenzamide?
The InChIKey is XJXWZWASTJPHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17).
What are the key properties of N-(6-bromo-3-pyridinyl)-4-fluorobenzamide?
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide 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 N-(6-bromo-3-pyridinyl)-4-fluorobenzamide is sourced from PubChem (CID 44602373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).