3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile

C16H16N2O3 — CID 62894945

IUPAC3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCCOc1cccc(CO)c1OCc1cccnc1C#N
InChIInChI=1S/C16H16N2O3/c1-2-20-15-7-3-5-12(10-19)16(15)21-11-13-6-4-8-18-14(13)9-17/h3-8,19H,2,10-11H2,1H3
InChIKeyVHDVCYGPGDLOLE-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.42
Rot. Bonds6

About 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile

3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 62894945) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID62894945
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCCOc1cccc(CO)c1OCc1cccnc1C#N
InChIInChI=1S/C16H16N2O3/c1-2-20-15-7-3-5-12(10-19)16(15)21-11-13-6-4-8-18-14(13)9-17/h3-8,19H,2,10-11H2,1H3
InChIKeyVHDVCYGPGDLOLE-UHFFFAOYSA-N
XLogP2.42
TPSA75.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[2-ethoxy-6-(hydroxymethyl)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

[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676
3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63364338
[3-ethoxy-2-(methoxymethoxy)phenyl]methanol
CID 65364783
[3-ethoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82865592
[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43366753
[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046926
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
3-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 55128345
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 62894945) is 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile is CCOc1cccc(CO)c1OCc1cccnc1C#N.
What is the InChIKey of 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is VHDVCYGPGDLOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-20-15-7-3-5-12(10-19)16(15)21-11-13-6-4-8-18-14(13)9-17/h3-8,19H,2,10-11H2,1H3.
What are the key properties of 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile?
3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 284.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).