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

C12H6BrClN4OSe — CID 62001024

IUPACN-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1cccc2n[se]nc12)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H6BrClN4OSe/c13-6-4-7(11(14)15-5-6)12(19)16-8-2-1-3-9-10(8)18-20-17-9/h1-5H,(H,16,19)
InChIKeyFAXIMJQPERCMRY-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.75
Rot. Bonds2

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

N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide (PubChem CID 62001024) has the molecular formula C12H6BrClN4OSe and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide
PubChem CID62001024
Molecular FormulaC12H6BrClN4OSe
Molecular Weight416.52 g/mol
Exact Mass415.86
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1cccc2n[se]nc12)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H6BrClN4OSe/c13-6-4-7(11(14)15-5-6)12(19)16-8-2-1-3-9-10(8)18-20-17-9/h1-5H,(H,16,19)
InChIKeyFAXIMJQPERCMRY-UHFFFAOYSA-N
XLogP2.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide
CID 62955088
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 60630965
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
CID 56582460
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
CID 115635717
2-(2,1,3-benzoselenadiazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615900
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62000214
N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide
CID 61274793
N-(2,1,3-benzoselenadiazol-4-yl)-3-bromo-4-methoxybenzamide
CID 60660920

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide (CID 62001024) is N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide is O=C(Nc1cccc2n[se]nc12)c1cc(Br)cnc1Cl.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide?
The InChIKey is FAXIMJQPERCMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN4OSe/c13-6-4-7(11(14)15-5-6)12(19)16-8-2-1-3-9-10(8)18-20-17-9/h1-5H,(H,16,19).
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide?
N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 2.75, 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-bromo-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 62001024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).