2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile

C14H11ClN2O — CID 43212993

IUPAC2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
SMILESCCc1cc(Oc2ncccc2C#N)ccc1Cl
InChIInChI=1S/C14H11ClN2O/c1-2-10-8-12(5-6-13(10)15)18-14-11(9-16)4-3-7-17-14/h3-8H,2H2,1H3
InChIKeyNEWZXZUIXXOJNV-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.96
Rot. Bonds3

About 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile

2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile (PubChem CID 43212993) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
PubChem CID43212993
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
SMILESCCc1cc(Oc2ncccc2C#N)ccc1Cl
InChIInChI=1S/C14H11ClN2O/c1-2-10-8-12(5-6-13(10)15)18-14-11(9-16)4-3-7-17-14/h3-8H,2H2,1H3
InChIKeyNEWZXZUIXXOJNV-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile (CID 43212993) is 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile is CCc1cc(Oc2ncccc2C#N)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile?
The InChIKey is NEWZXZUIXXOJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-2-10-8-12(5-6-13(10)15)18-14-11(9-16)4-3-7-17-14/h3-8H,2H2,1H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile?
2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 43212993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).