5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine

C8H9BrF3N3O — CID 67356806

IUPAC5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine
SMILESCNc1nc(OCC(F)(F)F)c(Br)cc1N
InChIInChI=1S/C8H9BrF3N3O/c1-14-6-5(13)2-4(9)7(15-6)16-3-8(10,11)12/h2H,3,13H2,1H3,(H,14,15)
InChIKeyIMJMTSVWSBAJEJ-UHFFFAOYSA-N
MW300.08 g/mol
LogP2.41
Rot. Bonds3

About 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine

5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine (PubChem CID 67356806) has the molecular formula C8H9BrF3N3O and a molecular weight of 300.08 g/mol. Its IUPAC name is 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine
PubChem CID67356806
Molecular FormulaC8H9BrF3N3O
Molecular Weight300.08 g/mol
Exact Mass298.99
IUPAC Name5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine
SMILESCNc1nc(OCC(F)(F)F)c(Br)cc1N
InChIInChI=1S/C8H9BrF3N3O/c1-14-6-5(13)2-4(9)7(15-6)16-3-8(10,11)12/h2H,3,13H2,1H3,(H,14,15)
InChIKeyIMJMTSVWSBAJEJ-UHFFFAOYSA-N
XLogP2.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-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 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine (CID 67356806) is 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine is CNc1nc(OCC(F)(F)F)c(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine?
The InChIKey is IMJMTSVWSBAJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3O/c1-14-6-5(13)2-4(9)7(15-6)16-3-8(10,11)12/h2H,3,13H2,1H3,(H,14,15).
What are the key properties of 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine?
5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine has a molecular weight of 300.08 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2,3-diamine is sourced from PubChem (CID 67356806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).