4-ethoxy-5-phenoxypyridine-2-carbonitrile

C14H12N2O2 — CID 138674806

IUPAC4-ethoxy-5-phenoxypyridine-2-carbonitrile
SMILESCCOc1cc(C#N)ncc1Oc1ccccc1
InChIInChI=1S/C14H12N2O2/c1-2-17-13-8-11(9-15)16-10-14(13)18-12-6-4-3-5-7-12/h3-8,10H,2H2,1H3
InChIKeyCYMBHJUPLKJIDP-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.14
Rot. Bonds4

About 4-ethoxy-5-phenoxypyridine-2-carbonitrile

4-ethoxy-5-phenoxypyridine-2-carbonitrile (PubChem CID 138674806) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-ethoxy-5-phenoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-5-phenoxypyridine-2-carbonitrile
PubChem CID138674806
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-ethoxy-5-phenoxypyridine-2-carbonitrile
SMILESCCOc1cc(C#N)ncc1Oc1ccccc1
InChIInChI=1S/C14H12N2O2/c1-2-17-13-8-11(9-15)16-10-14(13)18-12-6-4-3-5-7-12/h3-8,10H,2H2,1H3
InChIKeyCYMBHJUPLKJIDP-UHFFFAOYSA-N
XLogP3.14
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-phenoxypyridine-2-carbonitrile?
The IUPAC name of 4-ethoxy-5-phenoxypyridine-2-carbonitrile (CID 138674806) is 4-ethoxy-5-phenoxypyridine-2-carbonitrile.
What is the SMILES notation for 4-ethoxy-5-phenoxypyridine-2-carbonitrile?
The canonical SMILES for 4-ethoxy-5-phenoxypyridine-2-carbonitrile is CCOc1cc(C#N)ncc1Oc1ccccc1.
What is the InChIKey of 4-ethoxy-5-phenoxypyridine-2-carbonitrile?
The InChIKey is CYMBHJUPLKJIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-17-13-8-11(9-15)16-10-14(13)18-12-6-4-3-5-7-12/h3-8,10H,2H2,1H3.
What are the key properties of 4-ethoxy-5-phenoxypyridine-2-carbonitrile?
4-ethoxy-5-phenoxypyridine-2-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-phenoxypyridine-2-carbonitrile is sourced from PubChem (CID 138674806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).