6-bromo-3-N-methylpyridine-3,4-diamine

C6H8BrN3 — CID 87483726

IUPAC6-bromo-3-N-methylpyridine-3,4-diamine
SMILESCNc1cnc(Br)cc1N
InChIInChI=1S/C6H8BrN3/c1-9-5-3-10-6(7)2-4(5)8/h2-3,9H,1H3,(H2,8,10)
InChIKeyWTJXYGZHIVWLOS-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.47
Rot. Bonds1

About 6-bromo-3-N-methylpyridine-3,4-diamine

6-bromo-3-N-methylpyridine-3,4-diamine (PubChem CID 87483726) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 6-bromo-3-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name6-bromo-3-N-methylpyridine-3,4-diamine
PubChem CID87483726
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name6-bromo-3-N-methylpyridine-3,4-diamine
SMILESCNc1cnc(Br)cc1N
InChIInChI=1S/C6H8BrN3/c1-9-5-3-10-6(7)2-4(5)8/h2-3,9H,1H3,(H2,8,10)
InChIKeyWTJXYGZHIVWLOS-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-N-methylpyridine-3,4-diamine?
The IUPAC name of 6-bromo-3-N-methylpyridine-3,4-diamine (CID 87483726) is 6-bromo-3-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 6-bromo-3-N-methylpyridine-3,4-diamine?
The canonical SMILES for 6-bromo-3-N-methylpyridine-3,4-diamine is CNc1cnc(Br)cc1N.
What is the InChIKey of 6-bromo-3-N-methylpyridine-3,4-diamine?
The InChIKey is WTJXYGZHIVWLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-9-5-3-10-6(7)2-4(5)8/h2-3,9H,1H3,(H2,8,10).
What are the key properties of 6-bromo-3-N-methylpyridine-3,4-diamine?
6-bromo-3-N-methylpyridine-3,4-diamine has a molecular weight of 202.06 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 87483726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).