6-(dibromomethyl)-3,4-dihydropyridine

C6H7Br2N — CID 91314779

IUPAC6-(dibromomethyl)-3,4-dihydropyridine
SMILESBrC(Br)C1=CCCC=N1
InChIInChI=1S/C6H7Br2N/c7-6(8)5-3-1-2-4-9-5/h3-4,6H,1-2H2
InChIKeyNHBNJJJKALMUPO-UHFFFAOYSA-N
MW252.94 g/mol
LogP2.85
Rot. Bonds1

About 6-(dibromomethyl)-3,4-dihydropyridine

6-(dibromomethyl)-3,4-dihydropyridine (PubChem CID 91314779) has the molecular formula C6H7Br2N and a molecular weight of 252.94 g/mol. Its IUPAC name is 6-(dibromomethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(dibromomethyl)-3,4-dihydropyridine
PubChem CID91314779
Molecular FormulaC6H7Br2N
Molecular Weight252.94 g/mol
Exact Mass250.89
IUPAC Name6-(dibromomethyl)-3,4-dihydropyridine
SMILESBrC(Br)C1=CCCC=N1
InChIInChI=1S/C6H7Br2N/c7-6(8)5-3-1-2-4-9-5/h3-4,6H,1-2H2
InChIKeyNHBNJJJKALMUPO-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(dibromomethyl)-3,4-dihydropyridine 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 6-(dibromomethyl)-3,4-dihydropyridine?
The IUPAC name of 6-(dibromomethyl)-3,4-dihydropyridine (CID 91314779) is 6-(dibromomethyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-(dibromomethyl)-3,4-dihydropyridine?
The canonical SMILES for 6-(dibromomethyl)-3,4-dihydropyridine is BrC(Br)C1=CCCC=N1.
What is the InChIKey of 6-(dibromomethyl)-3,4-dihydropyridine?
The InChIKey is NHBNJJJKALMUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2N/c7-6(8)5-3-1-2-4-9-5/h3-4,6H,1-2H2.
What are the key properties of 6-(dibromomethyl)-3,4-dihydropyridine?
6-(dibromomethyl)-3,4-dihydropyridine has a molecular weight of 252.94 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibromomethyl)-3,4-dihydropyridine is sourced from PubChem (CID 91314779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).