5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide

C7H10Br2N2 — CID 167738479

IUPAC5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide
SMILESBr.Cc1nncc(CBr)c1C
InChIInChI=1S/C7H9BrN2.BrH/c1-5-6(2)10-9-4-7(5)3-8;/h4H,3H2,1-2H3;1H
InChIKeyLLISBNHJBPZBIR-UHFFFAOYSA-N
MW281.98 g/mol
LogP2.57
Rot. Bonds1

About 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide

5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide (PubChem CID 167738479) has the molecular formula C7H10Br2N2 and a molecular weight of 281.98 g/mol. Its IUPAC name is 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide.

Molecular Properties

Compound Name5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide
PubChem CID167738479
Molecular FormulaC7H10Br2N2
Molecular Weight281.98 g/mol
Exact Mass279.92
IUPAC Name5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide
SMILESBr.Cc1nncc(CBr)c1C
InChIInChI=1S/C7H9BrN2.BrH/c1-5-6(2)10-9-4-7(5)3-8;/h4H,3H2,1-2H3;1H
InChIKeyLLISBNHJBPZBIR-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.98
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethylpyridazine
CID 12440095
3-(Bromomethyl)pyridazine hydrobromide
CID 71464024
5-Bromo-3,4-dimethylpyridazine
CID 83680578
3,5-Dimethylpyridazine
CID 13262523
Pyridazine, 4-ethyl-6-methyl-
CID 15054356
Pyridazine, 4-ethyl-3-methyl-
CID 60087265
(5,6-Dimethylpyridazin-4-yl)methanamine dihydrochloride
CID 119031323
6-(Bromomethyl)-3,4-dimethylpyridazine hydrobromide
CID 165879948
4-Methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139297356
(5,6-Dimethylpyridazin-4-yl)methanamine
CID 119031324
5-(2-Fluoropropan-2-yl)-3-methylpyridazine
CID 135170655
5-Tert-butyl-4-fluoro-3-methylpyridazine
CID 146377669

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide?
The IUPAC name of 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide (CID 167738479) is 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide.
What is the SMILES notation for 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide?
The canonical SMILES for 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide is Br.Cc1nncc(CBr)c1C.
What is the InChIKey of 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide?
The InChIKey is LLISBNHJBPZBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2.BrH/c1-5-6(2)10-9-4-7(5)3-8;/h4H,3H2,1-2H3;1H.
What are the key properties of 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide?
5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide has a molecular weight of 281.98 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3,4-dimethylpyridazine;hydrobromide is sourced from PubChem (CID 167738479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).