5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide

C8H11Br2N — CID 155977820

IUPAC5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide
SMILESBr.Cc1cc(C)c(CBr)cn1
InChIInChI=1S/C8H10BrN.BrH/c1-6-3-7(2)10-5-8(6)4-9;/h3,5H,4H2,1-2H3;1H
InChIKeyCJUSOXSZMCWXNI-UHFFFAOYSA-N
MW280.99 g/mol
LogP3.17
Rot. Bonds1

About 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide

5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide (PubChem CID 155977820) has the molecular formula C8H11Br2N and a molecular weight of 280.99 g/mol. Its IUPAC name is 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide.

Molecular Properties

Compound Name5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide
PubChem CID155977820
Molecular FormulaC8H11Br2N
Molecular Weight280.99 g/mol
Exact Mass278.93
IUPAC Name5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide
SMILESBr.Cc1cc(C)c(CBr)cn1
InChIInChI=1S/C8H10BrN.BrH/c1-6-3-7(2)10-5-8(6)4-9;/h3,5H,4H2,1-2H3;1H
InChIKeyCJUSOXSZMCWXNI-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.99
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide?
The IUPAC name of 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide (CID 155977820) is 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide.
What is the SMILES notation for 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide?
The canonical SMILES for 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide is Br.Cc1cc(C)c(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide?
The InChIKey is CJUSOXSZMCWXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.BrH/c1-6-3-7(2)10-5-8(6)4-9;/h3,5H,4H2,1-2H3;1H.
What are the key properties of 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide?
5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide has a molecular weight of 280.99 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide is sourced from PubChem (CID 155977820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).