2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile

C14H11ClN2O2 — CID 83073226

IUPAC2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
SMILESCCOc1cccc(Oc2cc(C#N)cc(Cl)n2)c1
InChIInChI=1S/C14H11ClN2O2/c1-2-18-11-4-3-5-12(8-11)19-14-7-10(9-16)6-13(15)17-14/h3-8H,2H2,1H3
InChIKeyBUPHRAOBFXUHBZ-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.80
Rot. Bonds4

About 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile

2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile (PubChem CID 83073226) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
PubChem CID83073226
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
SMILESCCOc1cccc(Oc2cc(C#N)cc(Cl)n2)c1
InChIInChI=1S/C14H11ClN2O2/c1-2-18-11-4-3-5-12(8-11)19-14-7-10(9-16)6-13(15)17-14/h3-8H,2H2,1H3
InChIKeyBUPHRAOBFXUHBZ-UHFFFAOYSA-N
XLogP3.80
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile (CID 83073226) is 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile is CCOc1cccc(Oc2cc(C#N)cc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile?
The InChIKey is BUPHRAOBFXUHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-2-18-11-4-3-5-12(8-11)19-14-7-10(9-16)6-13(15)17-14/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile?
2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile has a molecular weight of 274.71 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 83073226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).