[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine

C13H9BrClF3N2O — CID 106796788

IUPAC[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H9BrClF3N2O/c14-8-3-10(13(16,17)18)12(20-6-8)21-11-4-9(15)2-1-7(11)5-19/h1-4,6H,5,19H2
InChIKeyORFSLKVCHGGELJ-UHFFFAOYSA-N
MW381.58 g/mol
LogP4.77
Rot. Bonds3

About [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine

[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine (PubChem CID 106796788) has the molecular formula C13H9BrClF3N2O and a molecular weight of 381.58 g/mol. Its IUPAC name is [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine
PubChem CID106796788
Molecular FormulaC13H9BrClF3N2O
Molecular Weight381.58 g/mol
Exact Mass379.95
IUPAC Name[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H9BrClF3N2O/c14-8-3-10(13(16,17)18)12(20-6-8)21-11-4-9(15)2-1-7(11)5-19/h1-4,6H,5,19H2
InChIKeyORFSLKVCHGGELJ-UHFFFAOYSA-N
XLogP4.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.58
LogP ≤ 54.77
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]oxy]-4-chlorophenyl]methanamine?
The IUPAC name of [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine (CID 106796788) is [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine.
What is the SMILES notation for [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine?
The canonical SMILES for [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine is NCc1ccc(Cl)cc1Oc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine?
The InChIKey is ORFSLKVCHGGELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF3N2O/c14-8-3-10(13(16,17)18)12(20-6-8)21-11-4-9(15)2-1-7(11)5-19/h1-4,6H,5,19H2.
What are the key properties of [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine?
[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]methanamine has a molecular weight of 381.58 g/mol, XLogP of 4.77, 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]oxy]-4-chlorophenyl]methanamine is sourced from PubChem (CID 106796788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).