6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile

C14H11ClN2O2 — CID 3812355

IUPAC6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC(Oc1ccc(Cl)cc1)c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C14H11ClN2O2/c1-9(19-12-5-3-11(15)4-6-12)13-7-2-10(8-16)14(18)17-13/h2-7,9H,1H3,(H,17,18)
InChIKeyDDXQMZWLRNLGEA-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.04
Rot. Bonds3

About 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile

6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 3812355) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID3812355
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC(Oc1ccc(Cl)cc1)c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C14H11ClN2O2/c1-9(19-12-5-3-11(15)4-6-12)13-7-2-10(8-16)14(18)17-13/h2-7,9H,1H3,(H,17,18)
InChIKeyDDXQMZWLRNLGEA-UHFFFAOYSA-N
XLogP3.04
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 3812355) is 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile is CC(Oc1ccc(Cl)cc1)c1ccc(C#N)c(=O)[nH]1.
What is the InChIKey of 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DDXQMZWLRNLGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-9(19-12-5-3-11(15)4-6-12)13-7-2-10(8-16)14(18)17-13/h2-7,9H,1H3,(H,17,18).
What are the key properties of 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile?
6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 274.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenoxy)ethyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 3812355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).