[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine

C12H10F3N3O — CID 155289861

IUPAC[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine
SMILESNCc1ccc(Oc2ccc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)10-3-2-9(7-17-10)19-11-4-1-8(5-16)6-18-11/h1-4,6-7H,5,16H2
InChIKeyVFWDYNDBMHEGOY-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.75
Rot. Bonds3

About [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine

[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine (PubChem CID 155289861) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine
PubChem CID155289861
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine
SMILESNCc1ccc(Oc2ccc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)10-3-2-9(7-17-10)19-11-4-1-8(5-16)6-18-11/h1-4,6-7H,5,16H2
InChIKeyVFWDYNDBMHEGOY-UHFFFAOYSA-N
XLogP2.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine?
The IUPAC name of [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine (CID 155289861) is [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine is NCc1ccc(Oc2ccc(C(F)(F)F)nc2)nc1.
What is the InChIKey of [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine?
The InChIKey is VFWDYNDBMHEGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)10-3-2-9(7-17-10)19-11-4-1-8(5-16)6-18-11/h1-4,6-7H,5,16H2.
What are the key properties of [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine?
[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine has a molecular weight of 269.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 155289861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).