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

C9H10N2O2 — CID 24695049

IUPAC6-(2-methoxyethoxy)pyridine-3-carbonitrile
SMILESCOCCOc1ccc(C#N)cn1
InChIInChI=1S/C9H10N2O2/c1-12-4-5-13-9-3-2-8(6-10)7-11-9/h2-3,7H,4-5H2,1H3
InChIKeyJNFWYSQNFRCPTR-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.98
Rot. Bonds4

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

6-(2-methoxyethoxy)pyridine-3-carbonitrile (PubChem CID 24695049) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxyethoxy)pyridine-3-carbonitrile
PubChem CID24695049
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-(2-methoxyethoxy)pyridine-3-carbonitrile
SMILESCOCCOc1ccc(C#N)cn1
InChIInChI=1S/C9H10N2O2/c1-12-4-5-13-9-3-2-8(6-10)7-11-9/h2-3,7H,4-5H2,1H3
InChIKeyJNFWYSQNFRCPTR-UHFFFAOYSA-N
XLogP0.98
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.98
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-methoxyethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methoxyethoxy)pyridine-3-carbonitrile (CID 24695049) is 6-(2-methoxyethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methoxyethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methoxyethoxy)pyridine-3-carbonitrile is COCCOc1ccc(C#N)cn1.
What is the InChIKey of 6-(2-methoxyethoxy)pyridine-3-carbonitrile?
The InChIKey is JNFWYSQNFRCPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-4-5-13-9-3-2-8(6-10)7-11-9/h2-3,7H,4-5H2,1H3.
What are the key properties of 6-(2-methoxyethoxy)pyridine-3-carbonitrile?
6-(2-methoxyethoxy)pyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 24695049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).