5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine

C13H10F4N2O — CID 102747925

IUPAC5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine
SMILESCNc1cncc(Oc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C13H10F4N2O/c1-18-8-4-10(7-19-6-8)20-9-2-3-12(14)11(5-9)13(15,16)17/h2-7,18H,1H3
InChIKeyXPRKYGKEDBYWJL-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.07
Rot. Bonds3

About 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine

5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine (PubChem CID 102747925) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine
PubChem CID102747925
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine
SMILESCNc1cncc(Oc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C13H10F4N2O/c1-18-8-4-10(7-19-6-8)20-9-2-3-12(14)11(5-9)13(15,16)17/h2-7,18H,1H3
InChIKeyXPRKYGKEDBYWJL-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-(4-phenylphenoxy)pyridin-3-amine
CID 104536254
1-[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 102747358
1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
CID 102747370
5-(2-fluoro-3-methylphenoxy)-N-methylpyridin-3-amine
CID 107662735
5-(2,3-dimethylphenoxy)-N-methylpyridin-3-amine
CID 104536353
3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile
CID 107669732
5-(4-butylphenoxy)-N-methylpyridin-3-amine
CID 104536970
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747023
N-methyl-5-(3,4,5-trimethoxyphenoxy)pyridin-3-amine
CID 104537032
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
ethane;5-methoxy-N-methylpyridin-3-amine
CID 168998921
[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
CID 102746859

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine (CID 102747925) is 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine is CNc1cncc(Oc2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine?
The InChIKey is XPRKYGKEDBYWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c1-18-8-4-10(7-19-6-8)20-9-2-3-12(14)11(5-9)13(15,16)17/h2-7,18H,1H3.
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine?
5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine has a molecular weight of 286.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine is sourced from PubChem (CID 102747925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).