N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide

C13H10BrFN2O — CID 55134915

IUPACN-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H10BrFN2O/c1-8-5-6-9(15)7-10(8)13(18)17-12-4-2-3-11(14)16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyXIAFPOUGMGJIAE-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide

N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide (PubChem CID 55134915) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide
PubChem CID55134915
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H10BrFN2O/c1-8-5-6-9(15)7-10(8)13(18)17-12-4-2-3-11(14)16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyXIAFPOUGMGJIAE-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.54
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
2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
CID 43520358
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
N-(6-bromo-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 47363958
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
2-bromo-5-fluoro-N-quinolin-2-ylbenzamide
CID 51265955
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide (CID 55134915) is N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide?
The InChIKey is XIAFPOUGMGJIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-5-6-9(15)7-10(8)13(18)17-12-4-2-3-11(14)16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide?
N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide has a molecular weight of 309.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 55134915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).