3-bromo-5-nitroso-1H-pyridin-4-one

C5H3BrN2O2 — CID 130249560

IUPAC3-bromo-5-nitroso-1H-pyridin-4-one
SMILESO=Nc1c[nH]cc(Br)c1=O
InChIInChI=1S/C5H3BrN2O2/c6-3-1-7-2-4(8-10)5(3)9/h1-2H,(H,7,9)
InChIKeyVFRCLHMIVMZIQB-UHFFFAOYSA-N
MW202.99 g/mol
LogP1.54
Rot. Bonds1

About 3-bromo-5-nitroso-1H-pyridin-4-one

3-bromo-5-nitroso-1H-pyridin-4-one (PubChem CID 130249560) has the molecular formula C5H3BrN2O2 and a molecular weight of 202.99 g/mol. Its IUPAC name is 3-bromo-5-nitroso-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-nitroso-1H-pyridin-4-one
PubChem CID130249560
Molecular FormulaC5H3BrN2O2
Molecular Weight202.99 g/mol
Exact Mass201.94
IUPAC Name3-bromo-5-nitroso-1H-pyridin-4-one
SMILESO=Nc1c[nH]cc(Br)c1=O
InChIInChI=1S/C5H3BrN2O2/c6-3-1-7-2-4(8-10)5(3)9/h1-2H,(H,7,9)
InChIKeyVFRCLHMIVMZIQB-UHFFFAOYSA-N
XLogP1.54
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.99
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitroso-1H-pyridin-4-one?
The IUPAC name of 3-bromo-5-nitroso-1H-pyridin-4-one (CID 130249560) is 3-bromo-5-nitroso-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-5-nitroso-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-5-nitroso-1H-pyridin-4-one is O=Nc1c[nH]cc(Br)c1=O.
What is the InChIKey of 3-bromo-5-nitroso-1H-pyridin-4-one?
The InChIKey is VFRCLHMIVMZIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN2O2/c6-3-1-7-2-4(8-10)5(3)9/h1-2H,(H,7,9).
What are the key properties of 3-bromo-5-nitroso-1H-pyridin-4-one?
3-bromo-5-nitroso-1H-pyridin-4-one has a molecular weight of 202.99 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitroso-1H-pyridin-4-one is sourced from PubChem (CID 130249560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).