(5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite

C5H3BrClNO2 — CID 70450589

IUPAC(5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite
SMILESO=c1[nH]cc(Br)cc1OCl
InChIInChI=1S/C5H3BrClNO2/c6-3-1-4(10-7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyLFEUEGQSNSJTNI-UHFFFAOYSA-N
MW224.44 g/mol
LogP1.67
Rot. Bonds1

About (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite

(5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite (PubChem CID 70450589) has the molecular formula C5H3BrClNO2 and a molecular weight of 224.44 g/mol. Its IUPAC name is (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite.

Molecular Properties

Compound Name(5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite
PubChem CID70450589
Molecular FormulaC5H3BrClNO2
Molecular Weight224.44 g/mol
Exact Mass222.90
IUPAC Name(5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite
SMILESO=c1[nH]cc(Br)cc1OCl
InChIInChI=1S/C5H3BrClNO2/c6-3-1-4(10-7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyLFEUEGQSNSJTNI-UHFFFAOYSA-N
XLogP1.67
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromopyridine-2,3-diol
CID 12563083
5-Bromo-3-methoxypyridin-2(1H)-one
CID 70701126
5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089369
5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one
CID 19844403
4-bromo-3-hydroxy-1H-pyridin-2-one
CID 90076352
2-oxo-1H-pyridin-3-olate
CID 51500330
(5-bromo-2-oxo-1H-pyridin-3-yl) nitrate
CID 122412774

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite?
The IUPAC name of (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite (CID 70450589) is (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite.
What is the SMILES notation for (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite?
The canonical SMILES for (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite is O=c1[nH]cc(Br)cc1OCl.
What is the InChIKey of (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite?
The InChIKey is LFEUEGQSNSJTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNO2/c6-3-1-4(10-7)5(9)8-2-3/h1-2H,(H,8,9).
What are the key properties of (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite?
(5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite has a molecular weight of 224.44 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite is sourced from PubChem (CID 70450589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).