[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C13H12F3N3O — CID 58873449

IUPAC[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1OCc1ccncc1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-2-1-10(7-17)12(19-11)20-8-9-3-5-18-6-4-9/h1-6H,7-8,17H2
InChIKeyUQBKPDDGPAYPMI-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.53
Rot. Bonds4

About [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 58873449) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID58873449
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1OCc1ccncc1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-2-1-10(7-17)12(19-11)20-8-9-3-5-18-6-4-9/h1-6H,7-8,17H2
InChIKeyUQBKPDDGPAYPMI-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873264
[2-(furan-2-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869669
3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 71503746
[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873351
acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171929343
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103176685
N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102739699
[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 126564818
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171924494
[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873485

Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 58873449) is [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(C(F)(F)F)nc1OCc1ccncc1.
What is the InChIKey of [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is UQBKPDDGPAYPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)11-2-1-10(7-17)12(19-11)20-8-9-3-5-18-6-4-9/h1-6H,7-8,17H2.
What are the key properties of [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 283.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 58873449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).