2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone

C15H15BrN2O — CID 105079147

IUPAC2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
SMILESCCc1nnc(C)cc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-3-14-13(7-10(2)17-18-14)15(19)9-11-5-4-6-12(16)8-11/h4-8H,3,9H2,1-2H3
InChIKeyQZQKGKGXOASTIA-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.54
Rot. Bonds4

About 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone

2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone (PubChem CID 105079147) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
PubChem CID105079147
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
SMILESCCc1nnc(C)cc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-3-14-13(7-10(2)17-18-14)15(19)9-11-5-4-6-12(16)8-11/h4-8H,3,9H2,1-2H3
InChIKeyQZQKGKGXOASTIA-UHFFFAOYSA-N
XLogP3.54
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105078240
1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one
CID 105080164
2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105079140
1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
CID 105079378
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376734
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102752332
2-(3-bromophenyl)acetamide
CID 11736027
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624333
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone (CID 105079147) is 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone is CCc1nnc(C)cc1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
The InChIKey is QZQKGKGXOASTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-3-14-13(7-10(2)17-18-14)15(19)9-11-5-4-6-12(16)8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone has a molecular weight of 319.20 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone is sourced from PubChem (CID 105079147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).