2-[(4-bromophenyl)methyl]pyridazin-3-one

C11H9BrN2O — CID 55209830

IUPAC2-[(4-bromophenyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O/c12-10-5-3-9(4-6-10)8-14-11(15)2-1-7-13-14/h1-7H,8H2
InChIKeyWXWYRVMWWFUWSH-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.05
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]pyridazin-3-one

2-[(4-bromophenyl)methyl]pyridazin-3-one (PubChem CID 55209830) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]pyridazin-3-one
PubChem CID55209830
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name2-[(4-bromophenyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O/c12-10-5-3-9(4-6-10)8-14-11(15)2-1-7-13-14/h1-7H,8H2
InChIKeyWXWYRVMWWFUWSH-UHFFFAOYSA-N
XLogP2.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one
CID 103438545
2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one
CID 104809211
4-[(6-oxopyridazin-1-yl)methyl]benzonitrile
CID 62849779
2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one
CID 62848712
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
2-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyridazin-3-one
CID 62848559
2-[(4-chloro-3-nitrophenyl)methyl]pyridazin-3-one
CID 62849253
6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one
CID 116788391
2-(fluoromethyl)pyridazin-3-one
CID 140988504
2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114396882
5-[(6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 62851184
2-[(3,6-dichloro-2-pyridinyl)methyl]pyridazin-3-one
CID 62891549

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(4-bromophenyl)methyl]pyridazin-3-one (CID 55209830) is 2-[(4-bromophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(4-bromophenyl)methyl]pyridazin-3-one is O=c1cccnn1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]pyridazin-3-one?
The InChIKey is WXWYRVMWWFUWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-5-3-9(4-6-10)8-14-11(15)2-1-7-13-14/h1-7H,8H2.
What are the key properties of 2-[(4-bromophenyl)methyl]pyridazin-3-one?
2-[(4-bromophenyl)methyl]pyridazin-3-one has a molecular weight of 265.11 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 55209830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).