3-bromo-2-isoselenocyanatopyridine

C6H3BrN2Se — CID 153313326

IUPAC3-bromo-2-isoselenocyanatopyridine
SMILES[Se]=C=Nc1ncccc1Br
InChIInChI=1S/C6H3BrN2Se/c7-5-2-1-3-8-6(5)9-4-10/h1-3H
InChIKeyPIZQVDJGZWQNPM-UHFFFAOYSA-N
MW261.97 g/mol
LogP1.55
Rot. Bonds1

About 3-bromo-2-isoselenocyanatopyridine

3-bromo-2-isoselenocyanatopyridine (PubChem CID 153313326) has the molecular formula C6H3BrN2Se and a molecular weight of 261.97 g/mol. Its IUPAC name is 3-bromo-2-isoselenocyanatopyridine.

Molecular Properties

Compound Name3-bromo-2-isoselenocyanatopyridine
PubChem CID153313326
Molecular FormulaC6H3BrN2Se
Molecular Weight261.97 g/mol
Exact Mass261.86
IUPAC Name3-bromo-2-isoselenocyanatopyridine
SMILES[Se]=C=Nc1ncccc1Br
InChIInChI=1S/C6H3BrN2Se/c7-5-2-1-3-8-6(5)9-4-10/h1-3H
InChIKeyPIZQVDJGZWQNPM-UHFFFAOYSA-N
XLogP1.55
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.97
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide
CID 11608210
3-bromo-2-chloropyridine
CID 693324
sodium 3-bromopyridin-2-olate
CID 134879941
3-chloro-2-isocyanatopyridine
CID 83914112
3-bromo-2-tert-butylsulfanylpyridine
CID 61373013
3-bromo-2-[2-[2-(3-bromo-2-pyridinyl)phenyl]phenyl]pyridine
CID 102358252
3-bromo-2-(difluoromethyl)pyridine
CID 54758836
2-[(E)-(3-hydroxy-2-pyridinyl)diazenyl]pyridin-3-ol
CID 137201296
2-(3-bromo-2-pyridinyl)-2-methylpropanenitrile
CID 86712398
1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
2-bromo-3-[2-(2-bromo-3-pyridinyl)ethynyl]pyridine
CID 24874157
2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
CID 136611798

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-isoselenocyanatopyridine?
The IUPAC name of 3-bromo-2-isoselenocyanatopyridine (CID 153313326) is 3-bromo-2-isoselenocyanatopyridine.
What is the SMILES notation for 3-bromo-2-isoselenocyanatopyridine?
The canonical SMILES for 3-bromo-2-isoselenocyanatopyridine is [Se]=C=Nc1ncccc1Br.
What is the InChIKey of 3-bromo-2-isoselenocyanatopyridine?
The InChIKey is PIZQVDJGZWQNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2Se/c7-5-2-1-3-8-6(5)9-4-10/h1-3H.
What are the key properties of 3-bromo-2-isoselenocyanatopyridine?
3-bromo-2-isoselenocyanatopyridine has a molecular weight of 261.97 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-isoselenocyanatopyridine is sourced from PubChem (CID 153313326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).