5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine

C7H7BrF3N3 — CID 103517557

IUPAC5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCC(F)(F)F
InChIInChI=1S/C7H7BrF3N3/c8-4-1-13-2-5(12)6(4)14-3-7(9,10)11/h1-2H,3,12H2,(H,13,14)
InChIKeyMNUYOCAXAWCUFE-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.40
Rot. Bonds2

About 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine

5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine (PubChem CID 103517557) has the molecular formula C7H7BrF3N3 and a molecular weight of 270.05 g/mol. Its IUPAC name is 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine
PubChem CID103517557
Molecular FormulaC7H7BrF3N3
Molecular Weight270.05 g/mol
Exact Mass268.98
IUPAC Name5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCC(F)(F)F
InChIInChI=1S/C7H7BrF3N3/c8-4-1-13-2-5(12)6(4)14-3-7(9,10)11/h1-2H,3,12H2,(H,13,14)
InChIKeyMNUYOCAXAWCUFE-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine (CID 103517557) is 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine is Nc1cncc(Br)c1NCC(F)(F)F.
What is the InChIKey of 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine?
The InChIKey is MNUYOCAXAWCUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3/c8-4-1-13-2-5(12)6(4)14-3-7(9,10)11/h1-2H,3,12H2,(H,13,14).
What are the key properties of 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine?
5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine has a molecular weight of 270.05 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine is sourced from PubChem (CID 103517557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).