6-ethoxypyridine-3-carbonitrile

C8H8N2O — CID 18929445

IUPAC6-ethoxypyridine-3-carbonitrile
SMILESCCOc1ccc(C#N)cn1
InChIInChI=1S/C8H8N2O/c1-2-11-8-4-3-7(5-9)6-10-8/h3-4,6H,2H2,1H3
InChIKeyRBOHCYKUZOVCGH-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.35
Rot. Bonds2

About 6-ethoxypyridine-3-carbonitrile

6-ethoxypyridine-3-carbonitrile (PubChem CID 18929445) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxypyridine-3-carbonitrile
PubChem CID18929445
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6-ethoxypyridine-3-carbonitrile
SMILESCCOc1ccc(C#N)cn1
InChIInChI=1S/C8H8N2O/c1-2-11-8-4-3-7(5-9)6-10-8/h3-4,6H,2H2,1H3
InChIKeyRBOHCYKUZOVCGH-UHFFFAOYSA-N
XLogP1.35
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxypyridine-3-carbonitrile?
The IUPAC name of 6-ethoxypyridine-3-carbonitrile (CID 18929445) is 6-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxypyridine-3-carbonitrile is CCOc1ccc(C#N)cn1.
What is the InChIKey of 6-ethoxypyridine-3-carbonitrile?
The InChIKey is RBOHCYKUZOVCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-11-8-4-3-7(5-9)6-10-8/h3-4,6H,2H2,1H3.
What are the key properties of 6-ethoxypyridine-3-carbonitrile?
6-ethoxypyridine-3-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 18929445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).