2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

C13H7F3N2O — CID 24708942

IUPAC2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)10-5-1-2-6-11(10)19-12-9(8-17)4-3-7-18-12/h1-7H
InChIKeySCLNTANYBWCFED-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.76
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 24708942) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID24708942
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)10-5-1-2-6-11(10)19-12-9(8-17)4-3-7-18-12/h1-7H
InChIKeySCLNTANYBWCFED-UHFFFAOYSA-N
XLogP3.76
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 107928062
N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62296366
3-amino-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 61388483
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile
CID 103174665
4-methoxy-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 81296767
2-(3,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24709601
2-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 54400483
[3-fluoro-2-[2-(trifluoromethyl)phenoxy]-4-pyridinyl]methanol
CID 105383241
2-[2-[(2-tert-butyl-1,2,4-triazol-3-yl)methylamino]phenoxy]pyridine-3-carbonitrile
CID 119051711
2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114766779
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (CID 24708942) is 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is N#Cc1cccnc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is SCLNTANYBWCFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-13(15,16)10-5-1-2-6-11(10)19-12-9(8-17)4-3-7-18-12/h1-7H.
What are the key properties of 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 24708942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).