5-(2-methoxyethyl)pyridine-3-carbonitrile

C9H10N2O — CID 167161685

IUPAC5-(2-methoxyethyl)pyridine-3-carbonitrile
SMILESCOCCc1cncc(C#N)c1
InChIInChI=1S/C9H10N2O/c1-12-3-2-8-4-9(5-10)7-11-6-8/h4,6-7H,2-3H2,1H3
InChIKeyFDAUWFBSWAHWCV-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.14
Rot. Bonds3

About 5-(2-methoxyethyl)pyridine-3-carbonitrile

5-(2-methoxyethyl)pyridine-3-carbonitrile (PubChem CID 167161685) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-(2-methoxyethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxyethyl)pyridine-3-carbonitrile
PubChem CID167161685
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-(2-methoxyethyl)pyridine-3-carbonitrile
SMILESCOCCc1cncc(C#N)c1
InChIInChI=1S/C9H10N2O/c1-12-3-2-8-4-9(5-10)7-11-6-8/h4,6-7H,2-3H2,1H3
InChIKeyFDAUWFBSWAHWCV-UHFFFAOYSA-N
XLogP1.14
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-methoxyethyl)pyridine-3-carbonitrile (CID 167161685) is 5-(2-methoxyethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-methoxyethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-methoxyethyl)pyridine-3-carbonitrile is COCCc1cncc(C#N)c1.
What is the InChIKey of 5-(2-methoxyethyl)pyridine-3-carbonitrile?
The InChIKey is FDAUWFBSWAHWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-3-2-8-4-9(5-10)7-11-6-8/h4,6-7H,2-3H2,1H3.
What are the key properties of 5-(2-methoxyethyl)pyridine-3-carbonitrile?
5-(2-methoxyethyl)pyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 167161685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).