2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile

C15H8F3N3O — CID 122517006

IUPAC2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc3[nH]ccc23)nc(C(F)(F)F)c1
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)13-6-9(8-19)7-14(21-13)22-12-3-1-2-11-10(12)4-5-20-11/h1-7,20H
InChIKeyMZVHCHHSJUYGAU-UHFFFAOYSA-N
MW303.24 g/mol
LogP4.25
Rot. Bonds2

About 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile

2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 122517006) has the molecular formula C15H8F3N3O and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID122517006
Molecular FormulaC15H8F3N3O
Molecular Weight303.24 g/mol
Exact Mass303.06
IUPAC Name2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc3[nH]ccc23)nc(C(F)(F)F)c1
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)13-6-9(8-19)7-14(21-13)22-12-3-1-2-11-10(12)4-5-20-11/h1-7,20H
InChIKeyMZVHCHHSJUYGAU-UHFFFAOYSA-N
XLogP4.25
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 122517057
2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 122536350
2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114766779
2-methyl-6-naphthalen-1-yloxypyridine-4-carbonitrile
CID 114766811
4-[(5-chloro-2-pyridinyl)oxy]-1H-indole
CID 22163801
3-fluoro-4-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propoxy]benzonitrile
CID 99850511
2-[3-[(3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carbonyl]phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 134343300
methyl 3-[[4-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]-5-hydroxybenzoate
CID 122517018
2-fluoro-6-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 133391490
3-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 130395939
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 83072753
2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766993

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile (CID 122517006) is 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile is N#Cc1cc(Oc2cccc3[nH]ccc23)nc(C(F)(F)F)c1.
What is the InChIKey of 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is MZVHCHHSJUYGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O/c16-15(17,18)13-6-9(8-19)7-14(21-13)22-12-3-1-2-11-10(12)4-5-20-11/h1-7,20H.
What are the key properties of 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile?
2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile has a molecular weight of 303.24 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 122517006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).