2,5-dibromopyridine-3,4-diamine

C5H5Br2N3 — CID 53416175

IUPAC2,5-dibromopyridine-3,4-diamine
SMILESNc1c(Br)cnc(Br)c1N
InChIInChI=1S/C5H5Br2N3/c6-2-1-10-5(7)4(9)3(2)8/h1H,9H2,(H2,8,10)
InChIKeyWDTOXRACOCNQRB-UHFFFAOYSA-N
MW266.92 g/mol
LogP1.77
Rot. Bonds

About 2,5-dibromopyridine-3,4-diamine

2,5-dibromopyridine-3,4-diamine (PubChem CID 53416175) has the molecular formula C5H5Br2N3 and a molecular weight of 266.92 g/mol. Its IUPAC name is 2,5-dibromopyridine-3,4-diamine.

Molecular Properties

Compound Name2,5-dibromopyridine-3,4-diamine
PubChem CID53416175
Molecular FormulaC5H5Br2N3
Molecular Weight266.92 g/mol
Exact Mass264.89
IUPAC Name2,5-dibromopyridine-3,4-diamine
SMILESNc1c(Br)cnc(Br)c1N
InChIInChI=1S/C5H5Br2N3/c6-2-1-10-5(7)4(9)3(2)8/h1H,9H2,(H2,8,10)
InChIKeyWDTOXRACOCNQRB-UHFFFAOYSA-N
XLogP1.77
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.92
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dibromopyridine-3,4-diamine 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 2,5-dibromopyridine-3,4-diamine?
The IUPAC name of 2,5-dibromopyridine-3,4-diamine (CID 53416175) is 2,5-dibromopyridine-3,4-diamine.
What is the SMILES notation for 2,5-dibromopyridine-3,4-diamine?
The canonical SMILES for 2,5-dibromopyridine-3,4-diamine is Nc1c(Br)cnc(Br)c1N.
What is the InChIKey of 2,5-dibromopyridine-3,4-diamine?
The InChIKey is WDTOXRACOCNQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2N3/c6-2-1-10-5(7)4(9)3(2)8/h1H,9H2,(H2,8,10).
What are the key properties of 2,5-dibromopyridine-3,4-diamine?
2,5-dibromopyridine-3,4-diamine has a molecular weight of 266.92 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromopyridine-3,4-diamine is sourced from PubChem (CID 53416175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).