6-bromo-4-ethyl-3,4-dihydropyridine

C7H10BrN — CID 118396493

IUPAC6-bromo-4-ethyl-3,4-dihydropyridine
SMILESCCC1C=C(Br)N=CC1
InChIInChI=1S/C7H10BrN/c1-2-6-3-4-9-7(8)5-6/h4-6H,2-3H2,1H3
InChIKeySBOJRPZMZGQQJP-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.72
Rot. Bonds1

About 6-bromo-4-ethyl-3,4-dihydropyridine

6-bromo-4-ethyl-3,4-dihydropyridine (PubChem CID 118396493) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 6-bromo-4-ethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-bromo-4-ethyl-3,4-dihydropyridine
PubChem CID118396493
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name6-bromo-4-ethyl-3,4-dihydropyridine
SMILESCCC1C=C(Br)N=CC1
InChIInChI=1S/C7H10BrN/c1-2-6-3-4-9-7(8)5-6/h4-6H,2-3H2,1H3
InChIKeySBOJRPZMZGQQJP-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-bromo-4-ethyl-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-bromo-4-ethyl-3,4-dihydropyridine?
The IUPAC name of 6-bromo-4-ethyl-3,4-dihydropyridine (CID 118396493) is 6-bromo-4-ethyl-3,4-dihydropyridine.
What is the SMILES notation for 6-bromo-4-ethyl-3,4-dihydropyridine?
The canonical SMILES for 6-bromo-4-ethyl-3,4-dihydropyridine is CCC1C=C(Br)N=CC1.
What is the InChIKey of 6-bromo-4-ethyl-3,4-dihydropyridine?
The InChIKey is SBOJRPZMZGQQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-2-6-3-4-9-7(8)5-6/h4-6H,2-3H2,1H3.
What are the key properties of 6-bromo-4-ethyl-3,4-dihydropyridine?
6-bromo-4-ethyl-3,4-dihydropyridine has a molecular weight of 188.07 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethyl-3,4-dihydropyridine is sourced from PubChem (CID 118396493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).