2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone

C12H10BrN3O2 — CID 103373346

IUPAC2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2cncc(Br)c2)nn1
InChIInChI=1S/C12H10BrN3O2/c1-18-12-3-2-10(15-16-12)11(17)5-8-4-9(13)7-14-6-8/h2-4,6-7H,5H2,1H3
InChIKeyULBIFNQVUKYHSZ-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.07
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone

2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone (PubChem CID 103373346) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
PubChem CID103373346
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2cncc(Br)c2)nn1
InChIInChI=1S/C12H10BrN3O2/c1-18-12-3-2-10(15-16-12)11(17)5-8-4-9(13)7-14-6-8/h2-4,6-7H,5H2,1H3
InChIKeyULBIFNQVUKYHSZ-UHFFFAOYSA-N
XLogP2.07
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 104799303
1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 103373181
2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone
CID 107356806
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754739
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(5-bromo-3-pyridinyl)ethanone
CID 116585346
1-(3-amino-2-methylphenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116604481
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
1-(5-bromo-3-pyridinyl)-5-methoxypentan-2-one
CID 104798951
2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone
CID 104799352
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one
CID 116707295

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone (CID 103373346) is 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone is COc1ccc(C(=O)Cc2cncc(Br)c2)nn1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone?
The InChIKey is ULBIFNQVUKYHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-18-12-3-2-10(15-16-12)11(17)5-8-4-9(13)7-14-6-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone has a molecular weight of 308.14 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone is sourced from PubChem (CID 103373346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).