[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H6BrF3N2O — CID 130089416

IUPAC[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1ccc(Br)c(OC(F)(F)F)n1
InChIInChI=1S/C7H6BrF3N2O/c8-5-2-1-4(3-12)13-6(5)14-7(9,10)11/h1-2H,3,12H2
InChIKeyVLRIDYBIAHDOGD-UHFFFAOYSA-N
MW271.04 g/mol
LogP2.20
Rot. Bonds2

About [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine

[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 130089416) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID130089416
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1ccc(Br)c(OC(F)(F)F)n1
InChIInChI=1S/C7H6BrF3N2O/c8-5-2-1-4(3-12)13-6(5)14-7(9,10)11/h1-2H,3,12H2
InChIKeyVLRIDYBIAHDOGD-UHFFFAOYSA-N
XLogP2.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 130089416) is [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1ccc(Br)c(OC(F)(F)F)n1.
What is the InChIKey of [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is VLRIDYBIAHDOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c8-5-2-1-4(3-12)13-6(5)14-7(9,10)11/h1-2H,3,12H2.
What are the key properties of [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 271.04 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 130089416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).