2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone

C11H8BrN3O — CID 105128871

IUPAC2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
SMILESO=C(Cc1cncc(Br)c1)c1ccnnc1
InChIInChI=1S/C11H8BrN3O/c12-10-3-8(5-13-7-10)4-11(16)9-1-2-14-15-6-9/h1-3,5-7H,4H2
InChIKeyVKHPSKPIJDHXGB-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.06
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone

2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone (PubChem CID 105128871) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
PubChem CID105128871
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
SMILESO=C(Cc1cncc(Br)c1)c1ccnnc1
InChIInChI=1S/C11H8BrN3O/c12-10-3-8(5-13-7-10)4-11(16)9-1-2-14-15-6-9/h1-3,5-7H,4H2
InChIKeyVKHPSKPIJDHXGB-UHFFFAOYSA-N
XLogP2.06
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
CID 104798917
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116612097
1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116597271
2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
CID 105129169
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 104799303
2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 104798767
1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 105093000
2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
CID 103373346

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone (CID 105128871) is 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone is O=C(Cc1cncc(Br)c1)c1ccnnc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone?
The InChIKey is VKHPSKPIJDHXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-10-3-8(5-13-7-10)4-11(16)9-1-2-14-15-6-9/h1-3,5-7H,4H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone?
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone has a molecular weight of 278.11 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone is sourced from PubChem (CID 105128871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).