3-[(3-bromophenyl)methyl]pyridazine

C11H9BrN2 — CID 117106529

IUPAC3-[(3-bromophenyl)methyl]pyridazine
SMILESBrc1cccc(Cc2cccnn2)c1
InChIInChI=1S/C11H9BrN2/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-14-11/h1-7H,8H2
InChIKeyURSHRPIYOJMYJE-UHFFFAOYSA-N
MW249.11 g/mol
LogP2.83
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]pyridazine

3-[(3-bromophenyl)methyl]pyridazine (PubChem CID 117106529) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]pyridazine
PubChem CID117106529
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name3-[(3-bromophenyl)methyl]pyridazine
SMILESBrc1cccc(Cc2cccnn2)c1
InChIInChI=1S/C11H9BrN2/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-14-11/h1-7H,8H2
InChIKeyURSHRPIYOJMYJE-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyphenyl)methyl]pyridazine
CID 117106572
3-[(3-bromophenyl)methylsulfanyl]pyridazine
CID 122134389
ethane;3-[(4-methylphenyl)methyl]pyridazine
CID 143919339
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
(3-bromophenyl)methylazanide;yttrium
CID 58710606
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 82489989
2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
CID 135966949
3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393272
3-(bromomethyl)-5-[(3-bromophenyl)methyl]-4-methyl-1,2,4-triazole
CID 115399838
[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115092952
N-(bromomethyl)-2-(3-bromophenyl)ethanamine
CID 115262293

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]pyridazine?
The IUPAC name of 3-[(3-bromophenyl)methyl]pyridazine (CID 117106529) is 3-[(3-bromophenyl)methyl]pyridazine.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]pyridazine?
The canonical SMILES for 3-[(3-bromophenyl)methyl]pyridazine is Brc1cccc(Cc2cccnn2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]pyridazine?
The InChIKey is URSHRPIYOJMYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-14-11/h1-7H,8H2.
What are the key properties of 3-[(3-bromophenyl)methyl]pyridazine?
3-[(3-bromophenyl)methyl]pyridazine has a molecular weight of 249.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]pyridazine is sourced from PubChem (CID 117106529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).