2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone

C12H8BrClN2O — CID 105129169

IUPAC2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1ccnnc1
InChIInChI=1S/C12H8BrClN2O/c13-10-2-1-8(11(14)6-10)5-12(17)9-3-4-15-16-7-9/h1-4,6-7H,5H2
InChIKeyICHVQCKBGFNQIK-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.32
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone

2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone (PubChem CID 105129169) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
PubChem CID105129169
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1ccnnc1
InChIInChI=1S/C12H8BrClN2O/c13-10-2-1-8(11(14)6-10)5-12(17)9-3-4-15-16-7-9/h1-4,6-7H,5H2
InChIKeyICHVQCKBGFNQIK-UHFFFAOYSA-N
XLogP3.32
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
CID 103214376
2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
CID 113471210
2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 115801790
2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105129130
2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115801958
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
2-fluoro-1-pyridazin-4-ylethanone
CID 88913580
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
CID 115801799

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone (CID 105129169) is 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone is O=C(Cc1ccc(Br)cc1Cl)c1ccnnc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone?
The InChIKey is ICHVQCKBGFNQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-10-2-1-8(11(14)6-10)5-12(17)9-3-4-15-16-7-9/h1-4,6-7H,5H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone?
2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone has a molecular weight of 311.57 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone is sourced from PubChem (CID 105129169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).