(3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine

C6H5Br2N — CID 119097908

IUPAC(3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine
SMILESBr/C=C1/CC=CN=C1Br
InChIInChI=1S/C6H5Br2N/c7-4-5-2-1-3-9-6(5)8/h1,3-4H,2H2/b5-4-
InChIKeyVIIFGNCCODOPBP-PLNGDYQASA-N
MW250.92 g/mol
LogP2.98
Rot. Bonds

About (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine

(3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine (PubChem CID 119097908) has the molecular formula C6H5Br2N and a molecular weight of 250.92 g/mol. Its IUPAC name is (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine.

Molecular Properties

Compound Name(3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine
PubChem CID119097908
Molecular FormulaC6H5Br2N
Molecular Weight250.92 g/mol
Exact Mass248.88
IUPAC Name(3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine
SMILESBr/C=C1/CC=CN=C1Br
InChIInChI=1S/C6H5Br2N/c7-4-5-2-1-3-9-6(5)8/h1,3-4H,2H2/b5-4-
InChIKeyVIIFGNCCODOPBP-PLNGDYQASA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.92
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3Z)-2-bromo-3-(bromomethylidene)-4H-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 (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine?
The IUPAC name of (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine (CID 119097908) is (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine.
What is the SMILES notation for (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine?
The canonical SMILES for (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine is Br/C=C1/CC=CN=C1Br.
What is the InChIKey of (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine?
The InChIKey is VIIFGNCCODOPBP-PLNGDYQASA-N. The full InChI is InChI=1S/C6H5Br2N/c7-4-5-2-1-3-9-6(5)8/h1,3-4H,2H2/b5-4-.
What are the key properties of (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine?
(3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine has a molecular weight of 250.92 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine is sourced from PubChem (CID 119097908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).