2-(2-ethoxy-3-pyridinyl)propanenitrile

C10H12N2O — CID 175668388

IUPAC2-(2-ethoxy-3-pyridinyl)propanenitrile
SMILESCCOc1ncccc1C(C)C#N
InChIInChI=1S/C10H12N2O/c1-3-13-10-9(8(2)7-11)5-4-6-12-10/h4-6,8H,3H2,1-2H3
InChIKeyIMNBKPCMAFHNFB-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.11
Rot. Bonds3

About 2-(2-ethoxy-3-pyridinyl)propanenitrile

2-(2-ethoxy-3-pyridinyl)propanenitrile (PubChem CID 175668388) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2-ethoxy-3-pyridinyl)propanenitrile.

Molecular Properties

Compound Name2-(2-ethoxy-3-pyridinyl)propanenitrile
PubChem CID175668388
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(2-ethoxy-3-pyridinyl)propanenitrile
SMILESCCOc1ncccc1C(C)C#N
InChIInChI=1S/C10H12N2O/c1-3-13-10-9(8(2)7-11)5-4-6-12-10/h4-6,8H,3H2,1-2H3
InChIKeyIMNBKPCMAFHNFB-UHFFFAOYSA-N
XLogP2.11
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-pyridinyl)propanenitrile?
The IUPAC name of 2-(2-ethoxy-3-pyridinyl)propanenitrile (CID 175668388) is 2-(2-ethoxy-3-pyridinyl)propanenitrile.
What is the SMILES notation for 2-(2-ethoxy-3-pyridinyl)propanenitrile?
The canonical SMILES for 2-(2-ethoxy-3-pyridinyl)propanenitrile is CCOc1ncccc1C(C)C#N.
What is the InChIKey of 2-(2-ethoxy-3-pyridinyl)propanenitrile?
The InChIKey is IMNBKPCMAFHNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-13-10-9(8(2)7-11)5-4-6-12-10/h4-6,8H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxy-3-pyridinyl)propanenitrile?
2-(2-ethoxy-3-pyridinyl)propanenitrile has a molecular weight of 176.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-pyridinyl)propanenitrile is sourced from PubChem (CID 175668388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).