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

C14H11ClN2O — CID 43243239

IUPAC2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile
SMILESCCc1cc(Oc2cc(C#N)ccn2)ccc1Cl
InChIInChI=1S/C14H11ClN2O/c1-2-11-8-12(3-4-13(11)15)18-14-7-10(9-16)5-6-17-14/h3-8H,2H2,1H3
InChIKeyISTDTBGQECGCOE-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.96
Rot. Bonds3

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

2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile (PubChem CID 43243239) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile
PubChem CID43243239
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile
SMILESCCc1cc(Oc2cc(C#N)ccn2)ccc1Cl
InChIInChI=1S/C14H11ClN2O/c1-2-11-8-12(3-4-13(11)15)18-14-7-10(9-16)5-6-17-14/h3-8H,2H2,1H3
InChIKeyISTDTBGQECGCOE-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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Related Compounds

[2-(4-chloro-3-ethylphenoxy)-4-pyridinyl]methanol
CID 61257143
3-[2-(4-chloro-3-ethylphenoxy)ethoxy]benzonitrile
CID 43289881
2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
CID 43212993
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
CID 83132770
2-(4-fluorophenoxy)pyridine-4-carbonitrile
CID 24695486
4-(4-chloro-3-ethylphenoxy)-3-nitrobenzonitrile
CID 16960381
3-(4-chloro-3-ethylphenoxy)propanenitrile
CID 43212888
N-[4-[(4-cyano-2-pyridinyl)oxy]phenyl]methanesulfonamide
CID 158179549
2-(1-methylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 116792720
2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 141181590
2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile
CID 64572339

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile (CID 43243239) is 2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile is CCc1cc(Oc2cc(C#N)ccn2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile?
The InChIKey is ISTDTBGQECGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-2-11-8-12(3-4-13(11)15)18-14-7-10(9-16)5-6-17-14/h3-8H,2H2,1H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile?
2-(4-chloro-3-ethylphenoxy)pyridine-4-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-4-carbonitrile is sourced from PubChem (CID 43243239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).