5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide

C12H6Br2ClFN2O — CID 113267905

IUPAC5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1cc(Br)ccc1F
InChIInChI=1S/C12H6Br2ClFN2O/c13-6-1-2-10(16)8(3-6)12(19)18-7-4-9(14)11(15)17-5-7/h1-5H,(H,18,19)
InChIKeyAQFPABXAPIVMKU-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.65
Rot. Bonds2

About 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide

5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide (PubChem CID 113267905) has the molecular formula C12H6Br2ClFN2O and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
PubChem CID113267905
Molecular FormulaC12H6Br2ClFN2O
Molecular Weight408.45 g/mol
Exact Mass405.85
IUPAC Name5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1cc(Br)ccc1F
InChIInChI=1S/C12H6Br2ClFN2O/c13-6-1-2-10(16)8(3-6)12(19)18-7-4-9(14)11(15)17-5-7/h1-5H,(H,18,19)
InChIKeyAQFPABXAPIVMKU-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.65
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-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 78929857
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide
CID 115274798
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide (CID 113267905) is 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide is O=C(Nc1cnc(Cl)c(Br)c1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide?
The InChIKey is AQFPABXAPIVMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2ClFN2O/c13-6-1-2-10(16)8(3-6)12(19)18-7-4-9(14)11(15)17-5-7/h1-5H,(H,18,19).
What are the key properties of 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide?
5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide has a molecular weight of 408.45 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 113267905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).