[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

C8H8BrF3N2O — CID 67508544

IUPAC[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OCC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H8BrF3N2O/c9-6-1-5(2-13)3-14-7(6)15-4-8(10,11)12/h1,3H,2,4,13H2
InChIKeyMQTSNEYOFRBLTD-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.24
Rot. Bonds3

About [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (PubChem CID 67508544) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
PubChem CID67508544
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OCC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H8BrF3N2O/c9-6-1-5(2-13)3-14-7(6)15-4-8(10,11)12/h1,3H,2,4,13H2
InChIKeyMQTSNEYOFRBLTD-UHFFFAOYSA-N
XLogP2.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (CID 67508544) is [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is NCc1cnc(OCC(F)(F)F)c(Br)c1.
What is the InChIKey of [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The InChIKey is MQTSNEYOFRBLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c9-6-1-5(2-13)3-14-7(6)15-4-8(10,11)12/h1,3H,2,4,13H2.
What are the key properties of [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine has a molecular weight of 285.06 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 67508544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).