6-bromopyridine-3,4-diamine

C5H6BrN3 — CID 18788657

IUPAC6-bromopyridine-3,4-diamine
SMILESNc1cnc(Br)cc1N
InChIInChI=1S/C5H6BrN3/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2,(H2,7,9)
InChIKeyXCVAQMLOGLDTNX-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.01
Rot. Bonds

About 6-bromopyridine-3,4-diamine

6-bromopyridine-3,4-diamine (PubChem CID 18788657) has the molecular formula C5H6BrN3 and a molecular weight of 188.03 g/mol. Its IUPAC name is 6-bromopyridine-3,4-diamine.

Molecular Properties

Compound Name6-bromopyridine-3,4-diamine
PubChem CID18788657
Molecular FormulaC5H6BrN3
Molecular Weight188.03 g/mol
Exact Mass186.97
IUPAC Name6-bromopyridine-3,4-diamine
SMILESNc1cnc(Br)cc1N
InChIInChI=1S/C5H6BrN3/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2,(H2,7,9)
InChIKeyXCVAQMLOGLDTNX-UHFFFAOYSA-N
XLogP1.01
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromopyridine-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 6-bromopyridine-3,4-diamine?
The IUPAC name of 6-bromopyridine-3,4-diamine (CID 18788657) is 6-bromopyridine-3,4-diamine.
What is the SMILES notation for 6-bromopyridine-3,4-diamine?
The canonical SMILES for 6-bromopyridine-3,4-diamine is Nc1cnc(Br)cc1N.
What is the InChIKey of 6-bromopyridine-3,4-diamine?
The InChIKey is XCVAQMLOGLDTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2,(H2,7,9).
What are the key properties of 6-bromopyridine-3,4-diamine?
6-bromopyridine-3,4-diamine has a molecular weight of 188.03 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridine-3,4-diamine is sourced from PubChem (CID 18788657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).