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

C9H8F6N2O2 — CID 134662772

IUPAC[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1cnc(C(F)(F)F)c(CN)c1OC(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c1-18-5-3-17-7(8(10,11)12)4(2-16)6(5)19-9(13,14)15/h3H,2,16H2,1H3
InChIKeyMXXLZHSTUPJFFP-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.47
Rot. Bonds3

About [5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine

[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 134662772) has the molecular formula C9H8F6N2O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is [5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID134662772
Molecular FormulaC9H8F6N2O2
Molecular Weight290.16 g/mol
Exact Mass290.05
IUPAC Name[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1cnc(C(F)(F)F)c(CN)c1OC(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c1-18-5-3-17-7(8(10,11)12)4(2-16)6(5)19-9(13,14)15/h3H,2,16H2,1H3
InChIKeyMXXLZHSTUPJFFP-UHFFFAOYSA-N
XLogP2.47
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134665255
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
3-(chloromethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113393
3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113341
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
ethyl 3-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134682897
methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665380
3-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681720
[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118837036
3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134682676

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine (CID 134662772) is [5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine is COc1cnc(C(F)(F)F)c(CN)c1OC(F)(F)F.
What is the InChIKey of [5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is MXXLZHSTUPJFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2/c1-18-5-3-17-7(8(10,11)12)4(2-16)6(5)19-9(13,14)15/h3H,2,16H2,1H3.
What are the key properties of [5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 290.16 g/mol, XLogP of 2.47, 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-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 134662772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).