3-(bromomethyl)-2,4-dimethylpyridine

C8H10BrN — CID 59589473

IUPAC3-(bromomethyl)-2,4-dimethylpyridine
SMILESCc1ccnc(C)c1CBr
InChIInChI=1S/C8H10BrN/c1-6-3-4-10-7(2)8(6)5-9/h3-4H,5H2,1-2H3
InChIKeyJUMWAELARWKCAX-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.59
Rot. Bonds1

About 3-(bromomethyl)-2,4-dimethylpyridine

3-(bromomethyl)-2,4-dimethylpyridine (PubChem CID 59589473) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 3-(bromomethyl)-2,4-dimethylpyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2,4-dimethylpyridine
PubChem CID59589473
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name3-(bromomethyl)-2,4-dimethylpyridine
SMILESCc1ccnc(C)c1CBr
InChIInChI=1S/C8H10BrN/c1-6-3-4-10-7(2)8(6)5-9/h3-4H,5H2,1-2H3
InChIKeyJUMWAELARWKCAX-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.59
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 3-(bromomethyl)-2,4-dimethylpyridine?
The IUPAC name of 3-(bromomethyl)-2,4-dimethylpyridine (CID 59589473) is 3-(bromomethyl)-2,4-dimethylpyridine.
What is the SMILES notation for 3-(bromomethyl)-2,4-dimethylpyridine?
The canonical SMILES for 3-(bromomethyl)-2,4-dimethylpyridine is Cc1ccnc(C)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2,4-dimethylpyridine?
The InChIKey is JUMWAELARWKCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-3-4-10-7(2)8(6)5-9/h3-4H,5H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2,4-dimethylpyridine?
3-(bromomethyl)-2,4-dimethylpyridine has a molecular weight of 200.08 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2,4-dimethylpyridine is sourced from PubChem (CID 59589473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).