2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine

C15H12Br2N4 — CID 15434328

IUPAC2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
SMILESBrCc1cccc(-c2ccn(-c3cccc(CBr)n3)n2)n1
InChIInChI=1S/C15H12Br2N4/c16-9-11-3-1-5-13(18-11)14-7-8-21(20-14)15-6-2-4-12(10-17)19-15/h1-8H,9-10H2
InChIKeyPXVFAYRXZUHSGG-UHFFFAOYSA-N
MW408.10 g/mol
LogP4.12
Rot. Bonds4

About 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine

2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine (PubChem CID 15434328) has the molecular formula C15H12Br2N4 and a molecular weight of 408.10 g/mol. Its IUPAC name is 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
PubChem CID15434328
Molecular FormulaC15H12Br2N4
Molecular Weight408.10 g/mol
Exact Mass405.94
IUPAC Name2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
SMILESBrCc1cccc(-c2ccn(-c3cccc(CBr)n3)n2)n1
InChIInChI=1S/C15H12Br2N4/c16-9-11-3-1-5-13(18-11)14-7-8-21(20-14)15-6-2-4-12(10-17)19-15/h1-8H,9-10H2
InChIKeyPXVFAYRXZUHSGG-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.10
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]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-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine (CID 15434328) is 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine is BrCc1cccc(-c2ccn(-c3cccc(CBr)n3)n2)n1.
What is the InChIKey of 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine?
The InChIKey is PXVFAYRXZUHSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N4/c16-9-11-3-1-5-13(18-11)14-7-8-21(20-14)15-6-2-4-12(10-17)19-15/h1-8H,9-10H2.
What are the key properties of 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine?
2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine has a molecular weight of 408.10 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 15434328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).