4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile

C14H20N2O4 — CID 104561614

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile
SMILESCOCCOCCOCCOCc1ccnc(C#N)c1
InChIInChI=1S/C14H20N2O4/c1-17-4-5-18-6-7-19-8-9-20-12-13-2-3-16-14(10-13)11-15/h2-3,10H,4-9,12H2,1H3
InChIKeyRLPLDDWGGZKPAT-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.15
Rot. Bonds11

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile (PubChem CID 104561614) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile
PubChem CID104561614
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile
SMILESCOCCOCCOCCOCc1ccnc(C#N)c1
InChIInChI=1S/C14H20N2O4/c1-17-4-5-18-6-7-19-8-9-20-12-13-2-3-16-14(10-13)11-15/h2-3,10H,4-9,12H2,1H3
InChIKeyRLPLDDWGGZKPAT-UHFFFAOYSA-N
XLogP1.15
TPSA73.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile (CID 104561614) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile is COCCOCCOCCOCc1ccnc(C#N)c1.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile?
The InChIKey is RLPLDDWGGZKPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-17-4-5-18-6-7-19-8-9-20-12-13-2-3-16-14(10-13)11-15/h2-3,10H,4-9,12H2,1H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile has a molecular weight of 280.32 g/mol, XLogP of 1.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 104561614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).