3-[(2-bromophenyl)methyl]pyridazine

C11H9BrN2 — CID 21387661

IUPAC3-[(2-bromophenyl)methyl]pyridazine
SMILESBrc1ccccc1Cc1cccnn1
InChIInChI=1S/C11H9BrN2/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-14-10/h1-7H,8H2
InChIKeyMRBKGMNPZMAHOW-UHFFFAOYSA-N
MW249.11 g/mol
LogP2.83
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]pyridazine

3-[(2-bromophenyl)methyl]pyridazine (PubChem CID 21387661) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]pyridazine
PubChem CID21387661
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name3-[(2-bromophenyl)methyl]pyridazine
SMILESBrc1ccccc1Cc1cccnn1
InChIInChI=1S/C11H9BrN2/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-14-10/h1-7H,8H2
InChIKeyMRBKGMNPZMAHOW-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]pyridazine?
The IUPAC name of 3-[(2-bromophenyl)methyl]pyridazine (CID 21387661) is 3-[(2-bromophenyl)methyl]pyridazine.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]pyridazine?
The canonical SMILES for 3-[(2-bromophenyl)methyl]pyridazine is Brc1ccccc1Cc1cccnn1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]pyridazine?
The InChIKey is MRBKGMNPZMAHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-14-10/h1-7H,8H2.
What are the key properties of 3-[(2-bromophenyl)methyl]pyridazine?
3-[(2-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-[(2-bromophenyl)methyl]pyridazine is sourced from PubChem (CID 21387661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).