6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine

C15H13F3N2O2 — CID 71112992

IUPAC6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine
SMILESCC1(C(F)(F)F)OCc2ccc(Oc3ccc(N)cn3)cc21
InChIInChI=1S/C15H13F3N2O2/c1-14(15(16,17)18)12-6-11(4-2-9(12)8-21-14)22-13-5-3-10(19)7-20-13/h2-7H,8,19H2,1H3
InChIKeyGUVVRCKEZSUKLJ-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.76
Rot. Bonds2

About 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine

6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine (PubChem CID 71112992) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine
PubChem CID71112992
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine
SMILESCC1(C(F)(F)F)OCc2ccc(Oc3ccc(N)cn3)cc21
InChIInChI=1S/C15H13F3N2O2/c1-14(15(16,17)18)12-6-11(4-2-9(12)8-21-14)22-13-5-3-10(19)7-20-13/h2-7H,8,19H2,1H3
InChIKeyGUVVRCKEZSUKLJ-UHFFFAOYSA-N
XLogP3.76
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine?
The IUPAC name of 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine (CID 71112992) is 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine.
What is the SMILES notation for 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine?
The canonical SMILES for 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine is CC1(C(F)(F)F)OCc2ccc(Oc3ccc(N)cn3)cc21.
What is the InChIKey of 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine?
The InChIKey is GUVVRCKEZSUKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-14(15(16,17)18)12-6-11(4-2-9(12)8-21-14)22-13-5-3-10(19)7-20-13/h2-7H,8,19H2,1H3.
What are the key properties of 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine?
6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine has a molecular weight of 310.28 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine is sourced from PubChem (CID 71112992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).