3-(bromomethyl)-4-methylpyridazine

C6H7BrN2 — CID 171099749

IUPAC3-(bromomethyl)-4-methylpyridazine
SMILESCc1ccnnc1CBr
InChIInChI=1S/C6H7BrN2/c1-5-2-3-8-9-6(5)4-7/h2-3H,4H2,1H3
InChIKeyKAZAUCPONVGBMF-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.68
Rot. Bonds1

About 3-(bromomethyl)-4-methylpyridazine

3-(bromomethyl)-4-methylpyridazine (PubChem CID 171099749) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 3-(bromomethyl)-4-methylpyridazine.

Molecular Properties

Compound Name3-(bromomethyl)-4-methylpyridazine
PubChem CID171099749
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name3-(bromomethyl)-4-methylpyridazine
SMILESCc1ccnnc1CBr
InChIInChI=1S/C6H7BrN2/c1-5-2-3-8-9-6(5)4-7/h2-3H,4H2,1H3
InChIKeyKAZAUCPONVGBMF-UHFFFAOYSA-N
XLogP1.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-methylpyridazine?
The IUPAC name of 3-(bromomethyl)-4-methylpyridazine (CID 171099749) is 3-(bromomethyl)-4-methylpyridazine.
What is the SMILES notation for 3-(bromomethyl)-4-methylpyridazine?
The canonical SMILES for 3-(bromomethyl)-4-methylpyridazine is Cc1ccnnc1CBr.
What is the InChIKey of 3-(bromomethyl)-4-methylpyridazine?
The InChIKey is KAZAUCPONVGBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-5-2-3-8-9-6(5)4-7/h2-3H,4H2,1H3.
What are the key properties of 3-(bromomethyl)-4-methylpyridazine?
3-(bromomethyl)-4-methylpyridazine has a molecular weight of 187.04 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-methylpyridazine is sourced from PubChem (CID 171099749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).