4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile

C15H14N2O2 — CID 107712438

IUPAC4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccccc2CCO)ccn1
InChIInChI=1S/C15H14N2O2/c16-10-14-9-12(5-7-17-14)11-19-15-4-2-1-3-13(15)6-8-18/h1-5,7,9,18H,6,8,11H2
InChIKeySXAJUGXKHQKYGE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.07
Rot. Bonds5

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

4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 107712438) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID107712438
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccccc2CCO)ccn1
InChIInChI=1S/C15H14N2O2/c16-10-14-9-12(5-7-17-14)11-19-15-4-2-1-3-13(15)6-8-18/h1-5,7,9,18H,6,8,11H2
InChIKeySXAJUGXKHQKYGE-UHFFFAOYSA-N
XLogP2.07
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882198
4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
2-[2-[[2-(methylamino)-4-pyridinyl]methoxy]phenyl]ethanol
CID 107714081
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile
CID 63882534
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107695260
4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 63888036
4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884828
4-[(2-amino-5-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63889015
4-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882931

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 107712438) is 4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2ccccc2CCO)ccn1.
What is the InChIKey of 4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is SXAJUGXKHQKYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-10-14-9-12(5-7-17-14)11-19-15-4-2-1-3-13(15)6-8-18/h1-5,7,9,18H,6,8,11H2.
What are the key properties of 4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile?
4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107712438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).