5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine

C9H11BrIN3 — CID 19751503

IUPAC5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2n[nH]c(Br)c2I)C1
InChIInChI=1S/C9H11BrIN3/c1-14-4-2-3-6(5-14)8-7(11)9(10)13-12-8/h3H,2,4-5H2,1H3,(H,12,13)
InChIKeyNRNGJVFBIMPOLT-UHFFFAOYSA-N
MW368.02 g/mol
LogP2.50
Rot. Bonds1

About 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine

5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 19751503) has the molecular formula C9H11BrIN3 and a molecular weight of 368.02 g/mol. Its IUPAC name is 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID19751503
Molecular FormulaC9H11BrIN3
Molecular Weight368.02 g/mol
Exact Mass366.92
IUPAC Name5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2n[nH]c(Br)c2I)C1
InChIInChI=1S/C9H11BrIN3/c1-14-4-2-3-6(5-14)8-7(11)9(10)13-12-8/h3H,2,4-5H2,1H3,(H,12,13)
InChIKeyNRNGJVFBIMPOLT-UHFFFAOYSA-N
XLogP2.50
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.02
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-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

Related Compounds

5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19751504
5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19751509
5-(4-iodo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19751513

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 19751503) is 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC=C(c2n[nH]c(Br)c2I)C1.
What is the InChIKey of 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is NRNGJVFBIMPOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrIN3/c1-14-4-2-3-6(5-14)8-7(11)9(10)13-12-8/h3H,2,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 368.02 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-iodo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19751503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).