2-bromo-5H-furo[2,3-d]pyridazin-4-one

C6H3BrN2O2 — CID 178169327

IUPAC2-bromo-5H-furo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2oc(Br)cc12
InChIInChI=1S/C6H3BrN2O2/c7-5-1-3-4(11-5)2-8-9-6(3)10/h1-2H,(H,9,10)
InChIKeyQABVVOBOMMHYAP-UHFFFAOYSA-N
MW215.01 g/mol
LogP1.28
Rot. Bonds

About 2-bromo-5H-furo[2,3-d]pyridazin-4-one

2-bromo-5H-furo[2,3-d]pyridazin-4-one (PubChem CID 178169327) has the molecular formula C6H3BrN2O2 and a molecular weight of 215.01 g/mol. Its IUPAC name is 2-bromo-5H-furo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-bromo-5H-furo[2,3-d]pyridazin-4-one
PubChem CID178169327
Molecular FormulaC6H3BrN2O2
Molecular Weight215.01 g/mol
Exact Mass213.94
IUPAC Name2-bromo-5H-furo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2oc(Br)cc12
InChIInChI=1S/C6H3BrN2O2/c7-5-1-3-4(11-5)2-8-9-6(3)10/h1-2H,(H,9,10)
InChIKeyQABVVOBOMMHYAP-UHFFFAOYSA-N
XLogP1.28
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 89199341
CID 89199341
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2H-pyrido[3,4-d]pyridazin-1-one
CID 10909714
7,9-dimethyl-3H-chromeno[4,3-d]pyrazol-4-one
CID 14293860
azane;2H-phthalazin-1-one;platinum(2+);dichloride
CID 15950509
2-bromo-7H-pyrido[2,3-d]pyridazin-8-one
CID 22265316
6-(sulfanylamino)-2H-phthalazin-1-one
CID 134266768
6-ethenyl-2H-phthalazin-1-one
CID 86675174
5,7-dimethoxy-2H-phthalazin-1-one
CID 21138693
1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 141180271
1-oxo-2H-phthalazine-6-carbonitrile
CID 162469789

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5H-furo[2,3-d]pyridazin-4-one?
The IUPAC name of 2-bromo-5H-furo[2,3-d]pyridazin-4-one (CID 178169327) is 2-bromo-5H-furo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-bromo-5H-furo[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-bromo-5H-furo[2,3-d]pyridazin-4-one is O=c1[nH]ncc2oc(Br)cc12.
What is the InChIKey of 2-bromo-5H-furo[2,3-d]pyridazin-4-one?
The InChIKey is QABVVOBOMMHYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O2/c7-5-1-3-4(11-5)2-8-9-6(3)10/h1-2H,(H,9,10).
What are the key properties of 2-bromo-5H-furo[2,3-d]pyridazin-4-one?
2-bromo-5H-furo[2,3-d]pyridazin-4-one has a molecular weight of 215.01 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5H-furo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 178169327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).