[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine

C8H9F3N2O2 — CID 118814252

IUPAC[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCOc1ccnc(CN)c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-14-6-2-3-13-5(4-12)7(6)15-8(9,10)11/h2-3H,4,12H2,1H3
InChIKeyRIXODLOXWXTHJQ-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.45
Rot. Bonds3

About [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine

[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118814252) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118814252
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCOc1ccnc(CN)c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-14-6-2-3-13-5(4-12)7(6)15-8(9,10)11/h2-3H,4,12H2,1H3
InChIKeyRIXODLOXWXTHJQ-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

2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095823
[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118831271
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
2-(aminomethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118836970
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803257
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine
CID 82396051
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118814252) is [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine is COc1ccnc(CN)c1OC(F)(F)F.
What is the InChIKey of [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is RIXODLOXWXTHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-14-6-2-3-13-5(4-12)7(6)15-8(9,10)11/h2-3H,4,12H2,1H3.
What are the key properties of [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
[4-methoxy-3-(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 [4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118814252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).