5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine

C8H9BrF3N3 — CID 63225930

IUPAC5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCCC(F)(F)F
InChIInChI=1S/C8H9BrF3N3/c9-5-3-6(13)7(15-4-5)14-2-1-8(10,11)12/h3-4H,1-2,13H2,(H,14,15)
InChIKeyDMFXBGUIBNNBTQ-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.79
Rot. Bonds3

About 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine

5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine (PubChem CID 63225930) has the molecular formula C8H9BrF3N3 and a molecular weight of 284.08 g/mol. Its IUPAC name is 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
PubChem CID63225930
Molecular FormulaC8H9BrF3N3
Molecular Weight284.08 g/mol
Exact Mass282.99
IUPAC Name5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCCC(F)(F)F
InChIInChI=1S/C8H9BrF3N3/c9-5-3-6(13)7(15-4-5)14-2-1-8(10,11)12/h3-4H,1-2,13H2,(H,14,15)
InChIKeyDMFXBGUIBNNBTQ-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine (CID 63225930) is 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine is Nc1cc(Br)cnc1NCCC(F)(F)F.
What is the InChIKey of 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The InChIKey is DMFXBGUIBNNBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3/c9-5-3-6(13)7(15-4-5)14-2-1-8(10,11)12/h3-4H,1-2,13H2,(H,14,15).
What are the key properties of 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine has a molecular weight of 284.08 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine is sourced from PubChem (CID 63225930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).