6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile

C15H12N2O2 — CID 133392727

IUPAC6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile
SMILESC=CCOc1ccc(Oc2cccc(C#N)n2)cc1
InChIInChI=1S/C15H12N2O2/c1-2-10-18-13-6-8-14(9-7-13)19-15-5-3-4-12(11-16)17-15/h2-9H,1,10H2
InChIKeyZAEXDSJVAUVXSN-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.31
Rot. Bonds5

About 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile

6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile (PubChem CID 133392727) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile
PubChem CID133392727
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile
SMILESC=CCOc1ccc(Oc2cccc(C#N)n2)cc1
InChIInChI=1S/C15H12N2O2/c1-2-10-18-13-6-8-14(9-7-13)19-15-5-3-4-12(11-16)17-15/h2-9H,1,10H2
InChIKeyZAEXDSJVAUVXSN-UHFFFAOYSA-N
XLogP3.31
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(4-hydroxyphenoxy)pyridine-2-carbonitrile
CID 64588999
6-(4-propan-2-yloxyphenoxy)pyridine-2-carbonitrile
CID 133392591
6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile
CID 133392479
6-quinolin-6-yloxypyridine-2-carbonitrile
CID 133392287
2-prop-2-enoxypyrimidine-4-carbonitrile
CID 107545771
6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile
CID 133392619
4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61227794
6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
CID 133392332
6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile
CID 116801270
6-pentoxypyridine-2-carbonitrile
CID 64594194
4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436274
6-quinolin-5-yloxypyridine-2-carbonitrile
CID 103044723

Frequently Asked Questions

What is the IUPAC name of 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile (CID 133392727) is 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile is C=CCOc1ccc(Oc2cccc(C#N)n2)cc1.
What is the InChIKey of 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile?
The InChIKey is ZAEXDSJVAUVXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-2-10-18-13-6-8-14(9-7-13)19-15-5-3-4-12(11-16)17-15/h2-9H,1,10H2.
What are the key properties of 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile?
6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile has a molecular weight of 252.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 133392727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).