5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride

C8H9BrClF3N2O — CID 162233674

IUPAC5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
SMILESCNc1cnc(OCC(F)(F)F)c(Br)c1.Cl
InChIInChI=1S/C8H8BrF3N2O.ClH/c1-13-5-2-6(9)7(14-3-5)15-4-8(10,11)12;/h2-3,13H,4H2,1H3;1H
InChIKeyRTFKCAPSBVEWMY-UHFFFAOYSA-N
MW321.52 g/mol
LogP3.25
Rot. Bonds3

About 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride

5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride (PubChem CID 162233674) has the molecular formula C8H9BrClF3N2O and a molecular weight of 321.52 g/mol. Its IUPAC name is 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
PubChem CID162233674
Molecular FormulaC8H9BrClF3N2O
Molecular Weight321.52 g/mol
Exact Mass319.95
IUPAC Name5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
SMILESCNc1cnc(OCC(F)(F)F)c(Br)c1.Cl
InChIInChI=1S/C8H8BrF3N2O.ClH/c1-13-5-2-6(9)7(14-3-5)15-4-8(10,11)12;/h2-3,13H,4H2,1H3;1H
InChIKeyRTFKCAPSBVEWMY-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The IUPAC name of 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride (CID 162233674) is 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride.
What is the SMILES notation for 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The canonical SMILES for 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride is CNc1cnc(OCC(F)(F)F)c(Br)c1.Cl.
What is the InChIKey of 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The InChIKey is RTFKCAPSBVEWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O.ClH/c1-13-5-2-6(9)7(14-3-5)15-4-8(10,11)12;/h2-3,13H,4H2,1H3;1H.
What are the key properties of 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride has a molecular weight of 321.52 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride is sourced from PubChem (CID 162233674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).