N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide

C12H7BrN4OSe — CID 62955088

IUPACN-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide
SMILESO=C(Nc1cccc2n[se]nc12)c1ccc(Br)cn1
InChIInChI=1S/C12H7BrN4OSe/c13-7-4-5-10(14-6-7)12(18)15-8-2-1-3-9-11(8)17-19-16-9/h1-6H,(H,15,18)
InChIKeyNYRVLHMUTLMAAR-UHFFFAOYSA-N
MW382.08 g/mol
LogP2.10
Rot. Bonds2

About N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide

N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide (PubChem CID 62955088) has the molecular formula C12H7BrN4OSe and a molecular weight of 382.08 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide
PubChem CID62955088
Molecular FormulaC12H7BrN4OSe
Molecular Weight382.08 g/mol
Exact Mass381.90
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide
SMILESO=C(Nc1cccc2n[se]nc12)c1ccc(Br)cn1
InChIInChI=1S/C12H7BrN4OSe/c13-7-4-5-10(14-6-7)12(18)15-8-2-1-3-9-11(8)17-19-16-9/h1-6H,(H,15,18)
InChIKeyNYRVLHMUTLMAAR-UHFFFAOYSA-N
XLogP2.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.08
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62001024
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340903
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 60630965
N-(2,1,3-benzoselenadiazol-4-yl)-3-bromo-4-methoxybenzamide
CID 60660920
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
2-(2,1,3-benzoselenadiazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615900
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 62954887
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide
CID 61274793
N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide
CID 62512502
N-(2,1,3-benzoselenadiazol-4-yl)-4-fluoro-3-methylbenzamide
CID 63213096

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide (CID 62955088) is N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide is O=C(Nc1cccc2n[se]nc12)c1ccc(Br)cn1.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide?
The InChIKey is NYRVLHMUTLMAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN4OSe/c13-7-4-5-10(14-6-7)12(18)15-8-2-1-3-9-11(8)17-19-16-9/h1-6H,(H,15,18).
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide?
N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide has a molecular weight of 382.08 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 62955088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).