2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile

C12H16N2O3 — CID 114766986

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
SMILESCOCCOCCOc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H16N2O3/c1-10-7-11(9-13)8-12(14-10)17-6-5-16-4-3-15-2/h7-8H,3-6H2,1-2H3
InChIKeyNOBRCOQGHRVZGN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.30
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile

2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile (PubChem CID 114766986) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
PubChem CID114766986
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
SMILESCOCCOCCOc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H16N2O3/c1-10-7-11(9-13)8-12(14-10)17-6-5-16-4-3-15-2/h7-8H,3-6H2,1-2H3
InChIKeyNOBRCOQGHRVZGN-UHFFFAOYSA-N
XLogP1.30
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-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

2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 83073628
2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
CID 114770421
2-methyl-6-(3-methylbut-3-enoxy)pyridine-4-carbonitrile
CID 114766998
2-methyl-6-pent-4-enoxypyridine-4-carbonitrile
CID 114766957
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
CID 114766974
2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
CID 114766899
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 104568171
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247
5-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carbonitrile
CID 103469800
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile (CID 114766986) is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile is COCCOCCOc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile?
The InChIKey is NOBRCOQGHRVZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-10-7-11(9-13)8-12(14-10)17-6-5-16-4-3-15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile?
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).