N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide

C12H7BrF2N2O — CID 43520386

IUPACN-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
SMILESO=C(Nc1cccc(Br)n1)c1cc(F)ccc1F
InChIInChI=1S/C12H7BrF2N2O/c13-10-2-1-3-11(16-10)17-12(18)8-6-7(14)4-5-9(8)15/h1-6H,(H,16,17,18)
InChIKeyCVFCGAMQYWRZHP-UHFFFAOYSA-N
MW313.10 g/mol
LogP3.37
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide

N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide (PubChem CID 43520386) has the molecular formula C12H7BrF2N2O and a molecular weight of 313.10 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
PubChem CID43520386
Molecular FormulaC12H7BrF2N2O
Molecular Weight313.10 g/mol
Exact Mass311.97
IUPAC NameN-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
SMILESO=C(Nc1cccc(Br)n1)c1cc(F)ccc1F
InChIInChI=1S/C12H7BrF2N2O/c13-10-2-1-3-11(16-10)17-12(18)8-6-7(14)4-5-9(8)15/h1-6H,(H,16,17,18)
InChIKeyCVFCGAMQYWRZHP-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 53.37
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

2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
CID 43520358
N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide
CID 55134915
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103909591
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide
CID 103875844
N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
CID 113255841
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide (CID 43520386) is N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide is O=C(Nc1cccc(Br)n1)c1cc(F)ccc1F.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide?
The InChIKey is CVFCGAMQYWRZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O/c13-10-2-1-3-11(16-10)17-12(18)8-6-7(14)4-5-9(8)15/h1-6H,(H,16,17,18).
What are the key properties of N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide?
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide has a molecular weight of 313.10 g/mol, XLogP of 3.37, 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)-2,5-difluorobenzamide is sourced from PubChem (CID 43520386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).