5-bromo-2-iodo-N-pyridin-2-ylbenzamide

C12H8BrIN2O — CID 23819192

IUPAC5-bromo-2-iodo-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cc(Br)ccc1I
InChIInChI=1S/C12H8BrIN2O/c13-8-4-5-10(14)9(7-8)12(17)16-11-3-1-2-6-15-11/h1-7H,(H,15,16,17)
InChIKeyWQOBGXPQQBEQGG-UHFFFAOYSA-N
MW403.02 g/mol
LogP3.70
Rot. Bonds2

About 5-bromo-2-iodo-N-pyridin-2-ylbenzamide

5-bromo-2-iodo-N-pyridin-2-ylbenzamide (PubChem CID 23819192) has the molecular formula C12H8BrIN2O and a molecular weight of 403.02 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-pyridin-2-ylbenzamide
PubChem CID23819192
Molecular FormulaC12H8BrIN2O
Molecular Weight403.02 g/mol
Exact Mass401.89
IUPAC Name5-bromo-2-iodo-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cc(Br)ccc1I
InChIInChI=1S/C12H8BrIN2O/c13-8-4-5-10(14)9(7-8)12(17)16-11-3-1-2-6-15-11/h1-7H,(H,15,16,17)
InChIKeyWQOBGXPQQBEQGG-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.02
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide
CID 114033128
2-[(2-iodobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 30335086
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
CID 104619953
N-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973
5-bromo-2-iodo-N-quinolin-6-ylbenzamide
CID 55784458
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072
2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide
CID 52668970
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
CID 114074313
5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 17461489

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-pyridin-2-ylbenzamide?
The IUPAC name of 5-bromo-2-iodo-N-pyridin-2-ylbenzamide (CID 23819192) is 5-bromo-2-iodo-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-pyridin-2-ylbenzamide?
The canonical SMILES for 5-bromo-2-iodo-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-pyridin-2-ylbenzamide?
The InChIKey is WQOBGXPQQBEQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIN2O/c13-8-4-5-10(14)9(7-8)12(17)16-11-3-1-2-6-15-11/h1-7H,(H,15,16,17).
What are the key properties of 5-bromo-2-iodo-N-pyridin-2-ylbenzamide?
5-bromo-2-iodo-N-pyridin-2-ylbenzamide has a molecular weight of 403.02 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 23819192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).