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

C12H7BrClFN2O — CID 78929857

IUPAC5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1cc(Br)ccc1F
InChIInChI=1S/C12H7BrClFN2O/c13-7-1-3-10(15)9(5-7)12(18)17-8-2-4-11(14)16-6-8/h1-6H,(H,17,18)
InChIKeyVIXGKPBSRDDNGF-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

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

5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide (PubChem CID 78929857) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is 5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
PubChem CID78929857
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1cc(Br)ccc1F
InChIInChI=1S/C12H7BrClFN2O/c13-7-1-3-10(15)9(5-7)12(18)17-8-2-4-11(14)16-6-8/h1-6H,(H,17,18)
InChIKeyVIXGKPBSRDDNGF-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.89
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

5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide
CID 115274798
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787912
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide (CID 78929857) is 5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)nc1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide?
The InChIKey is VIXGKPBSRDDNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-7-1-3-10(15)9(5-7)12(18)17-8-2-4-11(14)16-6-8/h1-6H,(H,17,18).
What are the key properties of 5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide?
5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide has a molecular weight of 329.56 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 78929857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).