4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile

C14H9F3N2O — CID 63884627

IUPAC4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)11-2-1-3-13(7-11)20-9-10-4-5-19-12(6-10)8-18/h1-7H,9H2
InChIKeyXNZLEEGEXSNJTD-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.55
Rot. Bonds3

About 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile

4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63884627) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63884627
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)11-2-1-3-13(7-11)20-9-10-4-5-19-12(6-10)8-18/h1-7H,9H2
InChIKeyXNZLEEGEXSNJTD-UHFFFAOYSA-N
XLogP3.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887242
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 65203604
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
2-[[3-(trifluoromethyl)phenoxy]methyl]furan
CID 101055355

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 63884627) is 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is XNZLEEGEXSNJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)11-2-1-3-13(7-11)20-9-10-4-5-19-12(6-10)8-18/h1-7H,9H2.
What are the key properties of 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile?
4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 278.23 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63884627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).