2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol

C9H10BrF3N2O — CID 106796701

IUPAC2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H10BrF3N2O/c1-15(2-3-16)8-7(9(11,12)13)4-6(10)5-14-8/h4-5,16H,2-3H2,1H3
InChIKeyFTOZVQWWEMLNKA-UHFFFAOYSA-N
MW299.09 g/mol
LogP2.29
Rot. Bonds3

About 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol (PubChem CID 106796701) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol
PubChem CID106796701
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H10BrF3N2O/c1-15(2-3-16)8-7(9(11,12)13)4-6(10)5-14-8/h4-5,16H,2-3H2,1H3
InChIKeyFTOZVQWWEMLNKA-UHFFFAOYSA-N
XLogP2.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol?
The IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol (CID 106796701) is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol is CN(CCO)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol?
The InChIKey is FTOZVQWWEMLNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c1-15(2-3-16)8-7(9(11,12)13)4-6(10)5-14-8/h4-5,16H,2-3H2,1H3.
What are the key properties of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol?
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol has a molecular weight of 299.09 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol is sourced from PubChem (CID 106796701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).