3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine

C13H10F4N2O — CID 10356638

IUPAC3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C13H10F4N2O/c14-10-4-1-3-9(13(15,16)17)8(10)7-20-11-5-2-6-19-12(11)18/h1-6H,7H2,(H2,18,19)
InChIKeyXFVKLVUDURSIOL-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.40
Rot. Bonds3

About 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine

3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine (PubChem CID 10356638) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
PubChem CID10356638
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C13H10F4N2O/c14-10-4-1-3-9(13(15,16)17)8(10)7-20-11-5-2-6-19-12(11)18/h1-6H,7H2,(H2,18,19)
InChIKeyXFVKLVUDURSIOL-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
The IUPAC name of 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine (CID 10356638) is 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
The canonical SMILES for 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine is Nc1ncccc1OCc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
The InChIKey is XFVKLVUDURSIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c14-10-4-1-3-9(13(15,16)17)8(10)7-20-11-5-2-6-19-12(11)18/h1-6H,7H2,(H2,18,19).
What are the key properties of 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine has a molecular weight of 286.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine is sourced from PubChem (CID 10356638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).