2-ethenylpyridine;phenylmethanamine;hydrobromide

C14H17BrN2 — CID 175228266

IUPAC2-ethenylpyridine;phenylmethanamine;hydrobromide
SMILESBr.C=Cc1ccccn1.NCc1ccccc1
InChIInChI=1S/C7H7N.C7H9N.BrH/c1-2-7-5-3-4-6-8-7;8-6-7-4-2-1-3-5-7;/h2-6H,1H2;1-5H,6,8H2;1H
InChIKeyZDYVJROXRSZSOL-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.45
Rot. Bonds2

About 2-ethenylpyridine;phenylmethanamine;hydrobromide

2-ethenylpyridine;phenylmethanamine;hydrobromide (PubChem CID 175228266) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-ethenylpyridine;phenylmethanamine;hydrobromide.

Molecular Properties

Compound Name2-ethenylpyridine;phenylmethanamine;hydrobromide
PubChem CID175228266
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-ethenylpyridine;phenylmethanamine;hydrobromide
SMILESBr.C=Cc1ccccn1.NCc1ccccc1
InChIInChI=1S/C7H7N.C7H9N.BrH/c1-2-7-5-3-4-6-8-7;8-6-7-4-2-1-3-5-7;/h2-6H,1H2;1-5H,6,8H2;1H
InChIKeyZDYVJROXRSZSOL-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethenylpyridine;phenylmethanamine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethenylpyridine;phenylmethanamine;hydrobromide?
The IUPAC name of 2-ethenylpyridine;phenylmethanamine;hydrobromide (CID 175228266) is 2-ethenylpyridine;phenylmethanamine;hydrobromide.
What is the SMILES notation for 2-ethenylpyridine;phenylmethanamine;hydrobromide?
The canonical SMILES for 2-ethenylpyridine;phenylmethanamine;hydrobromide is Br.C=Cc1ccccn1.NCc1ccccc1.
What is the InChIKey of 2-ethenylpyridine;phenylmethanamine;hydrobromide?
The InChIKey is ZDYVJROXRSZSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.C7H9N.BrH/c1-2-7-5-3-4-6-8-7;8-6-7-4-2-1-3-5-7;/h2-6H,1H2;1-5H,6,8H2;1H.
What are the key properties of 2-ethenylpyridine;phenylmethanamine;hydrobromide?
2-ethenylpyridine;phenylmethanamine;hydrobromide has a molecular weight of 293.21 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpyridine;phenylmethanamine;hydrobromide is sourced from PubChem (CID 175228266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).