2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile

C14H20N2O2 — CID 112703950

IUPAC2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile
SMILESCc1cc(OCCOC(C)(C)C)c(C#N)c(C)n1
InChIInChI=1S/C14H20N2O2/c1-10-8-13(12(9-15)11(2)16-10)17-6-7-18-14(3,4)5/h8H,6-7H2,1-5H3
InChIKeyHLUILINCTFKSDF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.76
Rot. Bonds4

About 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile

2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile (PubChem CID 112703950) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile
PubChem CID112703950
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile
SMILESCc1cc(OCCOC(C)(C)C)c(C#N)c(C)n1
InChIInChI=1S/C14H20N2O2/c1-10-8-13(12(9-15)11(2)16-10)17-6-7-18-14(3,4)5/h8H,6-7H2,1-5H3
InChIKeyHLUILINCTFKSDF-UHFFFAOYSA-N
XLogP2.76
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile (CID 112703950) is 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile is Cc1cc(OCCOC(C)(C)C)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile?
The InChIKey is HLUILINCTFKSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-13(12(9-15)11(2)16-10)17-6-7-18-14(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile?
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 112703950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).