2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine

C16H12Br2N4 — CID 11582517

IUPAC2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine
SMILESBrCc1nc(-c2ccccn2)c(-c2ccccn2)nc1CBr
InChIInChI=1S/C16H12Br2N4/c17-9-13-14(10-18)22-16(12-6-2-4-8-20-12)15(21-13)11-5-1-3-7-19-11/h1-8H,9-10H2
InChIKeyVPRKAPOIABFQKA-UHFFFAOYSA-N
MW420.11 g/mol
LogP4.39
Rot. Bonds4

About 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine

2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine (PubChem CID 11582517) has the molecular formula C16H12Br2N4 and a molecular weight of 420.11 g/mol. Its IUPAC name is 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine.

Molecular Properties

Compound Name2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine
PubChem CID11582517
Molecular FormulaC16H12Br2N4
Molecular Weight420.11 g/mol
Exact Mass417.94
IUPAC Name2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine
SMILESBrCc1nc(-c2ccccn2)c(-c2ccccn2)nc1CBr
InChIInChI=1S/C16H12Br2N4/c17-9-13-14(10-18)22-16(12-6-2-4-8-20-12)15(21-13)11-5-1-3-7-19-11/h1-8H,9-10H2
InChIKeyVPRKAPOIABFQKA-UHFFFAOYSA-N
XLogP4.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.11
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine 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

2,3-dipyridin-2-ylquinoxaline;platinum(2+);bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 50910408
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
CID 21026689
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
3,6-dibromo-2-pyridin-2-ylpyridine
CID 151353740
propane;2-pyridin-2-ylpyridine
CID 158168510

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine?
The IUPAC name of 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine (CID 11582517) is 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine.
What is the SMILES notation for 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine?
The canonical SMILES for 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine is BrCc1nc(-c2ccccn2)c(-c2ccccn2)nc1CBr.
What is the InChIKey of 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine?
The InChIKey is VPRKAPOIABFQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N4/c17-9-13-14(10-18)22-16(12-6-2-4-8-20-12)15(21-13)11-5-1-3-7-19-11/h1-8H,9-10H2.
What are the key properties of 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine?
2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine has a molecular weight of 420.11 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine is sourced from PubChem (CID 11582517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).