(3E)-3-(bromomethylidene)-2H-pyridine

C6H6BrN — CID 90411035

IUPAC(3E)-3-(bromomethylidene)-2H-pyridine
SMILESBr/C=C1\C=CC=NC1
InChIInChI=1S/C6H6BrN/c7-4-6-2-1-3-8-5-6/h1-4H,5H2/b6-4+
InChIKeyGLEODFGQCNTJEO-GQCTYLIASA-N
MW172.03 g/mol
LogP1.91
Rot. Bonds

About (3E)-3-(bromomethylidene)-2H-pyridine

(3E)-3-(bromomethylidene)-2H-pyridine (PubChem CID 90411035) has the molecular formula C6H6BrN and a molecular weight of 172.03 g/mol. Its IUPAC name is (3E)-3-(bromomethylidene)-2H-pyridine.

Molecular Properties

Compound Name(3E)-3-(bromomethylidene)-2H-pyridine
PubChem CID90411035
Molecular FormulaC6H6BrN
Molecular Weight172.03 g/mol
Exact Mass170.97
IUPAC Name(3E)-3-(bromomethylidene)-2H-pyridine
SMILESBr/C=C1\C=CC=NC1
InChIInChI=1S/C6H6BrN/c7-4-6-2-1-3-8-5-6/h1-4H,5H2/b6-4+
InChIKeyGLEODFGQCNTJEO-GQCTYLIASA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3E)-3-(bromomethylidene)-2H-pyridine 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 (3E)-3-(bromomethylidene)-2H-pyridine?
The IUPAC name of (3E)-3-(bromomethylidene)-2H-pyridine (CID 90411035) is (3E)-3-(bromomethylidene)-2H-pyridine.
What is the SMILES notation for (3E)-3-(bromomethylidene)-2H-pyridine?
The canonical SMILES for (3E)-3-(bromomethylidene)-2H-pyridine is Br/C=C1\C=CC=NC1.
What is the InChIKey of (3E)-3-(bromomethylidene)-2H-pyridine?
The InChIKey is GLEODFGQCNTJEO-GQCTYLIASA-N. The full InChI is InChI=1S/C6H6BrN/c7-4-6-2-1-3-8-5-6/h1-4H,5H2/b6-4+.
What are the key properties of (3E)-3-(bromomethylidene)-2H-pyridine?
(3E)-3-(bromomethylidene)-2H-pyridine has a molecular weight of 172.03 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(bromomethylidene)-2H-pyridine is sourced from PubChem (CID 90411035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).