1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine

C14H16ClNO — CID 156754589

IUPAC1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine
SMILESCCOC1=CN(c2ccccc2Cl)C(C)C=C1
InChIInChI=1S/C14H16ClNO/c1-3-17-12-9-8-11(2)16(10-12)14-7-5-4-6-13(14)15/h4-11H,3H2,1-2H3
InChIKeySQEIIWKPIBUHEN-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.98
Rot. Bonds3

About 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine

1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine (PubChem CID 156754589) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine
PubChem CID156754589
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine
SMILESCCOC1=CN(c2ccccc2Cl)C(C)C=C1
InChIInChI=1S/C14H16ClNO/c1-3-17-12-9-8-11(2)16(10-12)14-7-5-4-6-13(14)15/h4-11H,3H2,1-2H3
InChIKeySQEIIWKPIBUHEN-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine?
The IUPAC name of 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine (CID 156754589) is 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine.
What is the SMILES notation for 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine?
The canonical SMILES for 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine is CCOC1=CN(c2ccccc2Cl)C(C)C=C1.
What is the InChIKey of 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine?
The InChIKey is SQEIIWKPIBUHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-3-17-12-9-8-11(2)16(10-12)14-7-5-4-6-13(14)15/h4-11H,3H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine?
1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine has a molecular weight of 249.74 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-ethoxy-2-methyl-2H-pyridine is sourced from PubChem (CID 156754589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).