4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile

C15H14N2O2 — CID 63883843

IUPAC4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
SMILESCCOc1ccccc1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H14N2O2/c1-2-18-14-5-3-4-6-15(14)19-11-12-7-8-17-13(9-12)10-16/h3-9H,2,11H2,1H3
InChIKeyDWGHSIGYSDIAFB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.93
Rot. Bonds5

About 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile

4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63883843) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63883843
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
SMILESCCOc1ccccc1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H14N2O2/c1-2-18-14-5-3-4-6-15(14)19-11-12-7-8-17-13(9-12)10-16/h3-9H,2,11H2,1H3
InChIKeyDWGHSIGYSDIAFB-UHFFFAOYSA-N
XLogP2.93
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882931
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 63880588
4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile
CID 63882534
4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882198
4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107712438
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882157
4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 78953410
4-(propoxymethyl)pyridine-2-carbonitrile
CID 63884045
4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884828
4-[(2-amino-5-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63889015

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile (CID 63883843) is 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile is CCOc1ccccc1OCc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is DWGHSIGYSDIAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-18-14-5-3-4-6-15(14)19-11-12-7-8-17-13(9-12)10-16/h3-9H,2,11H2,1H3.
What are the key properties of 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile?
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63883843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).