2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide

C12H5Br2Cl2FN2O — CID 169100495

IUPAC2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1cc(Br)nc(Br)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H5Br2Cl2FN2O/c13-8-4-7(10(17)11(14)19-8)18-12(20)5-2-1-3-6(15)9(5)16/h1-4H,(H,18,19,20)
InChIKeyHRQBNSZBYUMLPQ-UHFFFAOYSA-N
MW442.90 g/mol
LogP5.30
Rot. Bonds2

About 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide

2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide (PubChem CID 169100495) has the molecular formula C12H5Br2Cl2FN2O and a molecular weight of 442.90 g/mol. Its IUPAC name is 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide
PubChem CID169100495
Molecular FormulaC12H5Br2Cl2FN2O
Molecular Weight442.90 g/mol
Exact Mass439.81
IUPAC Name2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1cc(Br)nc(Br)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H5Br2Cl2FN2O/c13-8-4-7(10(17)11(14)19-8)18-12(20)5-2-1-3-6(15)9(5)16/h1-4H,(H,18,19,20)
InChIKeyHRQBNSZBYUMLPQ-UHFFFAOYSA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.90
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide (CID 169100495) is 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide is O=C(Nc1cc(Br)nc(Br)c1F)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide?
The InChIKey is HRQBNSZBYUMLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br2Cl2FN2O/c13-8-4-7(10(17)11(14)19-8)18-12(20)5-2-1-3-6(15)9(5)16/h1-4H,(H,18,19,20).
What are the key properties of 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide?
2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide has a molecular weight of 442.90 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2,6-dibromo-3-fluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 169100495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).