6-(2-ethoxyethoxy)pyridine-3-carbonitrile

C10H12N2O2 — CID 22939609

IUPAC6-(2-ethoxyethoxy)pyridine-3-carbonitrile
SMILESCCOCCOc1ccc(C#N)cn1
InChIInChI=1S/C10H12N2O2/c1-2-13-5-6-14-10-4-3-9(7-11)8-12-10/h3-4,8H,2,5-6H2,1H3
InChIKeyUZBWETGYDNPYNF-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.37
Rot. Bonds5

About 6-(2-ethoxyethoxy)pyridine-3-carbonitrile

6-(2-ethoxyethoxy)pyridine-3-carbonitrile (PubChem CID 22939609) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)pyridine-3-carbonitrile
PubChem CID22939609
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-(2-ethoxyethoxy)pyridine-3-carbonitrile
SMILESCCOCCOc1ccc(C#N)cn1
InChIInChI=1S/C10H12N2O2/c1-2-13-5-6-14-10-4-3-9(7-11)8-12-10/h3-4,8H,2,5-6H2,1H3
InChIKeyUZBWETGYDNPYNF-UHFFFAOYSA-N
XLogP1.37
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.37
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 6-(2-ethoxyethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-ethoxyethoxy)pyridine-3-carbonitrile (CID 22939609) is 6-(2-ethoxyethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-ethoxyethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-ethoxyethoxy)pyridine-3-carbonitrile is CCOCCOc1ccc(C#N)cn1.
What is the InChIKey of 6-(2-ethoxyethoxy)pyridine-3-carbonitrile?
The InChIKey is UZBWETGYDNPYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-13-5-6-14-10-4-3-9(7-11)8-12-10/h3-4,8H,2,5-6H2,1H3.
What are the key properties of 6-(2-ethoxyethoxy)pyridine-3-carbonitrile?
6-(2-ethoxyethoxy)pyridine-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 22939609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).