4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile

C14H9F3N2O2 — CID 21463678

IUPAC4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
SMILESCOc1ccc(C#N)cc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H9F3N2O2/c1-20-11-4-2-9(7-18)6-12(11)21-13-5-3-10(8-19-13)14(15,16)17/h2-6,8H,1H3
InChIKeyHMYMTIRRWBETLT-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.77
Rot. Bonds3

About 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile

4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile (PubChem CID 21463678) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
PubChem CID21463678
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
SMILESCOc1ccc(C#N)cc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H9F3N2O2/c1-20-11-4-2-9(7-18)6-12(11)21-13-5-3-10(8-19-13)14(15,16)17/h2-6,8H,1H3
InChIKeyHMYMTIRRWBETLT-UHFFFAOYSA-N
XLogP3.77
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
CID 39860875
4-[[5-(chloromethyl)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80628683
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1H-indole-7-carbonitrile
CID 175588176
2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 2435081
2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 166073857
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 65429611
4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
CID 83267932
4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
CID 115467611

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile (CID 21463678) is 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile is COc1ccc(C#N)cc1Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile?
The InChIKey is HMYMTIRRWBETLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c1-20-11-4-2-9(7-18)6-12(11)21-13-5-3-10(8-19-13)14(15,16)17/h2-6,8H,1H3.
What are the key properties of 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile?
4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile has a molecular weight of 294.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 21463678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).