2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile

C15H13ClN2O2 — CID 83074306

IUPAC2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile
SMILESCOCCc1ccc(Oc2cc(C#N)cc(Cl)n2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-19-7-6-11-2-4-13(5-3-11)20-15-9-12(10-17)8-14(16)18-15/h2-5,8-9H,6-7H2,1H3
InChIKeyQVEIVEMQROJKPT-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.59
Rot. Bonds5

About 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile

2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile (PubChem CID 83074306) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile
PubChem CID83074306
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile
SMILESCOCCc1ccc(Oc2cc(C#N)cc(Cl)n2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-19-7-6-11-2-4-13(5-3-11)20-15-9-12(10-17)8-14(16)18-15/h2-5,8-9H,6-7H2,1H3
InChIKeyQVEIVEMQROJKPT-UHFFFAOYSA-N
XLogP3.59
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
tert-butyl 4-[4-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]butanoate
CID 160818081
2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 83073628
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbonitrile
CID 43244931
2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile
CID 107664549
2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile
CID 166799798
2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
CID 83073226
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
CID 114766790
2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile
CID 159564472
2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile
CID 107545800
4-[[4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 71740451

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile (CID 83074306) is 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile is COCCc1ccc(Oc2cc(C#N)cc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile?
The InChIKey is QVEIVEMQROJKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-19-7-6-11-2-4-13(5-3-11)20-15-9-12(10-17)8-14(16)18-15/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile?
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile has a molecular weight of 288.73 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 83074306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).