3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile

C13H18N2O2 — CID 106447603

IUPAC3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile
SMILESCC(C)COCCOCc1cccnc1C#N
InChIInChI=1S/C13H18N2O2/c1-11(2)9-16-6-7-17-10-12-4-3-5-15-13(12)8-14/h3-5,11H,6-7,9-10H2,1-2H3
InChIKeyGCVYGISLWMZXLC-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.14
Rot. Bonds7

About 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile

3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile (PubChem CID 106447603) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile
PubChem CID106447603
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile
SMILESCC(C)COCCOCc1cccnc1C#N
InChIInChI=1S/C13H18N2O2/c1-11(2)9-16-6-7-17-10-12-4-3-5-15-13(12)8-14/h3-5,11H,6-7,9-10H2,1-2H3
InChIKeyGCVYGISLWMZXLC-UHFFFAOYSA-N
XLogP2.14
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.14
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

(Pyridin-3-yl)methyl acetate
CID 295656
3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine
CID 2796523
3-Methoxymethyl-5-pyridin-2-ylethynyl-pyridine
CID 44345143
2-(2-(Phenylmethoxy)ethyl)pyridine
CID 95767
Pyridine, 3-((2-(diethylamino)ethoxy)methyl)-
CID 3025101
Pyridine, 3-((2-(dimethylamino)ethoxy)methyl)-
CID 3025105
3-((2-(Dimethylamino)propoxy)methyl)pyridine
CID 3025107
3-(2-Methyl-1,3-dioxolan-2-yl)pyridine
CID 280715
Pyridine, 3-(4,5-dihydro-2-oxazolyl)-
CID 794242
Pyridine, 3-((2-(diethylamino)propoxy)methyl)-
CID 3025103
Ethyl 2-cyanopyridine-3-carboxylate
CID 12747366
3-(Methoxymethyl)picolinonitrile
CID 62919584

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile (CID 106447603) is 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile is CC(C)COCCOCc1cccnc1C#N.
What is the InChIKey of 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile?
The InChIKey is GCVYGISLWMZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11(2)9-16-6-7-17-10-12-4-3-5-15-13(12)8-14/h3-5,11H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile?
3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 106447603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).