6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile

C14H11ClN2O — CID 2768886

IUPAC6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccccc2Cl)ccc1C#N
InChIInChI=1S/C14H11ClN2O/c1-2-18-14-10(9-16)7-8-13(17-14)11-5-3-4-6-12(11)15/h3-8H,2H2,1H3
InChIKeyKBPSACAWRNAOLU-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.67
Rot. Bonds3

About 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile

6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile (PubChem CID 2768886) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
PubChem CID2768886
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccccc2Cl)ccc1C#N
InChIInChI=1S/C14H11ClN2O/c1-2-18-14-10(9-16)7-8-13(17-14)11-5-3-4-6-12(11)15/h3-8H,2H2,1H3
InChIKeyKBPSACAWRNAOLU-UHFFFAOYSA-N
XLogP3.67
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile (CID 2768886) is 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile is CCOc1nc(-c2ccccc2Cl)ccc1C#N.
What is the InChIKey of 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile?
The InChIKey is KBPSACAWRNAOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-2-18-14-10(9-16)7-8-13(17-14)11-5-3-4-6-12(11)15/h3-8H,2H2,1H3.
What are the key properties of 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile?
6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 2768886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).