3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile

C13H18N2O2 — CID 112587633

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
SMILESCC(C)(C)OCCOCc1cccnc1C#N
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-8-7-16-10-11-5-4-6-15-12(11)9-14/h4-6H,7-8,10H2,1-3H3
InChIKeyWXRWCORRHCJZRT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.28
Rot. Bonds5

About 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile

3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile (PubChem CID 112587633) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
PubChem CID112587633
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
SMILESCC(C)(C)OCCOCc1cccnc1C#N
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-8-7-16-10-11-5-4-6-15-12(11)9-14/h4-6H,7-8,10H2,1-3H3
InChIKeyWXRWCORRHCJZRT-UHFFFAOYSA-N
XLogP2.28
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]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

3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile
CID 106447603
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbothioamide
CID 112587680
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
tert-butyl 2-(2-cyano-3-pyridinyl)acetate
CID 135394891
3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile
CID 65125922
N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide
CID 136925059
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile
CID 112587614
4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
CID 112587627
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63367788
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile (CID 112587633) is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile is CC(C)(C)OCCOCc1cccnc1C#N.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile?
The InChIKey is WXRWCORRHCJZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)17-8-7-16-10-11-5-4-6-15-12(11)9-14/h4-6H,7-8,10H2,1-3H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile?
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 112587633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).