2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one

C11H7BrCl2N2O — CID 7844651

IUPAC2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccccc1Br
InChIInChI=1S/C11H7BrCl2N2O/c12-8-4-2-1-3-7(8)6-16-11(17)10(14)9(13)5-15-16/h1-5H,6H2
InChIKeyMNKPNXIKZVUCOV-UHFFFAOYSA-N
MW334.00 g/mol
LogP3.36
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one

2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one (PubChem CID 7844651) has the molecular formula C11H7BrCl2N2O and a molecular weight of 334.00 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
PubChem CID7844651
Molecular FormulaC11H7BrCl2N2O
Molecular Weight334.00 g/mol
Exact Mass331.91
IUPAC Name2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccccc1Br
InChIInChI=1S/C11H7BrCl2N2O/c12-8-4-2-1-3-7(8)6-16-11(17)10(14)9(13)5-15-16/h1-5H,6H2
InChIKeyMNKPNXIKZVUCOV-UHFFFAOYSA-N
XLogP3.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968
2-(bromomethyl)-4,5-dichloropyridazin-3-one
CID 4612286
4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
CID 2662480
2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol
CID 115068582
4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one
CID 113236762
4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one
CID 114386429
4-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-3-methylbenzonitrile
CID 114485136
2-[(4-aminoquinazolin-2-yl)methyl]-4,5-dichloropyridazin-3-one
CID 52727555
1-[(2-bromophenyl)methyl]-4-(chloromethyl)-5-propan-2-ylpyrazole
CID 66438185
1-[(2-bromophenyl)methyl]-5-methylpyrazole-4-carbaldehyde
CID 63276615

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one (CID 7844651) is 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one?
The InChIKey is MNKPNXIKZVUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O/c12-8-4-2-1-3-7(8)6-16-11(17)10(14)9(13)5-15-16/h1-5H,6H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one?
2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one has a molecular weight of 334.00 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 7844651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).