3-(bromomethyl)pyridine;hydrobromide

C6H7Br2N — CID 12707037

IUPAC3-(bromomethyl)pyridine;hydrobromide
SMILESBr.BrCc1cccnc1
InChIInChI=1S/C6H6BrN.BrH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H
InChIKeyFNHPUOJKUXFUKN-UHFFFAOYSA-N
MW252.94 g/mol
LogP2.55
Rot. Bonds1

About 3-(bromomethyl)pyridine;hydrobromide

3-(bromomethyl)pyridine;hydrobromide (PubChem CID 12707037) has the molecular formula C6H7Br2N and a molecular weight of 252.94 g/mol. Its IUPAC name is 3-(bromomethyl)pyridine;hydrobromide.

Molecular Properties

Compound Name3-(bromomethyl)pyridine;hydrobromide
PubChem CID12707037
Molecular FormulaC6H7Br2N
Molecular Weight252.94 g/mol
Exact Mass250.89
IUPAC Name3-(bromomethyl)pyridine;hydrobromide
SMILESBr.BrCc1cccnc1
InChIInChI=1S/C6H6BrN.BrH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H
InChIKeyFNHPUOJKUXFUKN-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.94
LogP ≤ 52.55
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)pyridine;hydrobromide?
The IUPAC name of 3-(bromomethyl)pyridine;hydrobromide (CID 12707037) is 3-(bromomethyl)pyridine;hydrobromide.
What is the SMILES notation for 3-(bromomethyl)pyridine;hydrobromide?
The canonical SMILES for 3-(bromomethyl)pyridine;hydrobromide is Br.BrCc1cccnc1.
What is the InChIKey of 3-(bromomethyl)pyridine;hydrobromide?
The InChIKey is FNHPUOJKUXFUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN.BrH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H.
What are the key properties of 3-(bromomethyl)pyridine;hydrobromide?
3-(bromomethyl)pyridine;hydrobromide has a molecular weight of 252.94 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)pyridine;hydrobromide is sourced from PubChem (CID 12707037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).