[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine

C8H9F3N2O2 — CID 118837036

IUPAC[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCOc1cnc(CN)cc1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-14-7-4-13-5(3-12)2-6(7)15-8(9,10)11/h2,4H,3,12H2,1H3
InChIKeyYPNTTZISIONPGU-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.45
Rot. Bonds3

About [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine

[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118837036) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118837036
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCOc1cnc(CN)cc1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-14-7-4-13-5(3-12)2-6(7)15-8(9,10)11/h2,4H,3,12H2,1H3
InChIKeyYPNTTZISIONPGU-UHFFFAOYSA-N
XLogP1.45
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085678
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118835408
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
[6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085661
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290
2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)pyridin-3-amine
CID 133086231

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118837036) is [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine is COc1cnc(CN)cc1OC(F)(F)F.
What is the InChIKey of [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is YPNTTZISIONPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-14-7-4-13-5(3-12)2-6(7)15-8(9,10)11/h2,4H,3,12H2,1H3.
What are the key properties of [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 222.17 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118837036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).