4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile

C13H18N2O2 — CID 112587627

IUPAC4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
SMILESCC(C)(C)OCCOCc1ccnc(C#N)c1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-7-6-16-10-11-4-5-15-12(8-11)9-14/h4-5,8H,6-7,10H2,1-3H3
InChIKeyGGVWASVONROBQF-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.28
Rot. Bonds5

About 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile

4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile (PubChem CID 112587627) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
PubChem CID112587627
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
SMILESCC(C)(C)OCCOCc1ccnc(C#N)c1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-7-6-16-10-11-4-5-15-12(8-11)9-14/h4-5,8H,6-7,10H2,1-3H3
InChIKeyGGVWASVONROBQF-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'}

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Related Compounds

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile
CID 104561614
4-(propoxymethyl)pyridine-2-carbonitrile
CID 63884045
4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63880788
4-(pentoxymethyl)pyridine-2-carbonitrile
CID 63884240
4-[2-(propan-2-ylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63881182
4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-N-propylpyridin-2-amine
CID 112589451
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
CID 112587633
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
tert-butyl 2-[(2-cyano-4-pyridinyl)methylsulfonyl]acetate
CID 116688148

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile (CID 112587627) is 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile is CC(C)(C)OCCOCc1ccnc(C#N)c1.
What is the InChIKey of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile?
The InChIKey is GGVWASVONROBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)17-7-6-16-10-11-4-5-15-12(8-11)9-14/h4-5,8H,6-7,10H2,1-3H3.
What are the key properties of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile?
4-[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 4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 112587627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).