2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine

C21H23BrN2 — CID 71551313

IUPAC2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
SMILESBrc1cccc(/C(=C\CN2CCCC2)c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C21H23BrN2/c22-21-5-3-4-20(23-21)19(12-15-24-13-1-2-14-24)18-10-8-17(9-11-18)16-6-7-16/h3-5,8-12,16H,1-2,6-7,13-15H2/b19-12-
InChIKeyPRXJFJAHAGUPCA-UNOMPAQXSA-N
MW383.33 g/mol
LogP5.25
Rot. Bonds5

About 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine

2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine (PubChem CID 71551313) has the molecular formula C21H23BrN2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
PubChem CID71551313
Molecular FormulaC21H23BrN2
Molecular Weight383.33 g/mol
Exact Mass382.10
IUPAC Name2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
SMILESBrc1cccc(/C(=C\CN2CCCC2)c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C21H23BrN2/c22-21-5-3-4-20(23-21)19(12-15-24-13-1-2-14-24)18-10-8-17(9-11-18)16-6-7-16/h3-5,8-12,16H,1-2,6-7,13-15H2/b19-12-
InChIKeyPRXJFJAHAGUPCA-UNOMPAQXSA-N
XLogP5.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]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 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine?
The IUPAC name of 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine (CID 71551313) is 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine.
What is the SMILES notation for 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine?
The canonical SMILES for 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine is Brc1cccc(/C(=C\CN2CCCC2)c2ccc(C3CC3)cc2)n1.
What is the InChIKey of 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine?
The InChIKey is PRXJFJAHAGUPCA-UNOMPAQXSA-N. The full InChI is InChI=1S/C21H23BrN2/c22-21-5-3-4-20(23-21)19(12-15-24-13-1-2-14-24)18-10-8-17(9-11-18)16-6-7-16/h3-5,8-12,16H,1-2,6-7,13-15H2/b19-12-.
What are the key properties of 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine?
2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine has a molecular weight of 383.33 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine is sourced from PubChem (CID 71551313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).