6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide

C12H9BrIN3O — CID 114261542

IUPAC6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cc(Br)ccc2I)cn1
InChIInChI=1S/C12H9BrIN3O/c13-8-2-3-9(14)10(5-8)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyWJAMMEIYHZAELN-UHFFFAOYSA-N
MW418.03 g/mol
LogP3.28
Rot. Bonds2

About 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide

6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide (PubChem CID 114261542) has the molecular formula C12H9BrIN3O and a molecular weight of 418.03 g/mol. Its IUPAC name is 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide
PubChem CID114261542
Molecular FormulaC12H9BrIN3O
Molecular Weight418.03 g/mol
Exact Mass416.90
IUPAC Name6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cc(Br)ccc2I)cn1
InChIInChI=1S/C12H9BrIN3O/c13-8-2-3-9(14)10(5-8)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyWJAMMEIYHZAELN-UHFFFAOYSA-N
XLogP3.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.03
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793435
N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide
CID 114259152
6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
N-(2,5-dibromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62247489
6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
CID 103416721
6-amino-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 62059203
6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 62152342
6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 62155556
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 62155431

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide (CID 114261542) is 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide is Nc1ccc(C(=O)Nc2cc(Br)ccc2I)cn1.
What is the InChIKey of 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide?
The InChIKey is WJAMMEIYHZAELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrIN3O/c13-8-2-3-9(14)10(5-8)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide?
6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide has a molecular weight of 418.03 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 114261542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).