N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide

C12H8BrFN2O2 — CID 103829790

IUPACN-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccc(F)cc1O
InChIInChI=1S/C12H8BrFN2O2/c13-10-2-1-3-11(15-10)16-12(18)8-5-4-7(14)6-9(8)17/h1-6,17H,(H,15,16,18)
InChIKeyLSRAJGNCJXPVCC-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.94
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide

N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 103829790) has the molecular formula C12H8BrFN2O2 and a molecular weight of 311.11 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
PubChem CID103829790
Molecular FormulaC12H8BrFN2O2
Molecular Weight311.11 g/mol
Exact Mass309.98
IUPAC NameN-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccc(F)cc1O
InChIInChI=1S/C12H8BrFN2O2/c13-10-2-1-3-11(15-10)16-12(18)8-5-4-7(14)6-9(8)17/h1-6,17H,(H,15,16,18)
InChIKeyLSRAJGNCJXPVCC-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
CID 43520358
N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide
CID 55134915
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162
4-fluoro-2-hydroxy-N-naphthalen-2-ylbenzamide
CID 107015197
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide (CID 103829790) is N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide is O=C(Nc1cccc(Br)n1)c1ccc(F)cc1O.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is LSRAJGNCJXPVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O2/c13-10-2-1-3-11(15-10)16-12(18)8-5-4-7(14)6-9(8)17/h1-6,17H,(H,15,16,18).
What are the key properties of N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide?
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 311.11 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 103829790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).