4-(2-phenoxyethoxy)pyridine-2-carbonitrile

C14H12N2O2 — CID 62937276

IUPAC4-(2-phenoxyethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCCOc2ccccc2)ccn1
InChIInChI=1S/C14H12N2O2/c15-11-12-10-14(6-7-16-12)18-9-8-17-13-4-2-1-3-5-13/h1-7,10H,8-9H2
InChIKeyGTUYSCLYQDYITE-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.41
Rot. Bonds5

About 4-(2-phenoxyethoxy)pyridine-2-carbonitrile

4-(2-phenoxyethoxy)pyridine-2-carbonitrile (PubChem CID 62937276) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2-phenoxyethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-phenoxyethoxy)pyridine-2-carbonitrile
PubChem CID62937276
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(2-phenoxyethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCCOc2ccccc2)ccn1
InChIInChI=1S/C14H12N2O2/c15-11-12-10-14(6-7-16-12)18-9-8-17-13-4-2-1-3-5-13/h1-7,10H,8-9H2
InChIKeyGTUYSCLYQDYITE-UHFFFAOYSA-N
XLogP2.41
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-but-3-enoxypyridine-2-carbonitrile
CID 62936255
5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile
CID 147688494
4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
CID 71758116
3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
4-(2-fluorophenoxy)pyridine-2-carbonitrile
CID 62936070
6-(phenoxymethyl)pyrimidine-4-carbonitrile
CID 121206306
4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
CID 62925745
4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile
CID 62492330
4-chloropyridine-2-carbonitrile;ethane;methane;phenylmethanol;4-phenylmethoxypyridine-2-carbonitrile
CID 160967852
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(2-phenoxyethoxy)pyridine-2-carbonitrile (CID 62937276) is 4-(2-phenoxyethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-phenoxyethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2-phenoxyethoxy)pyridine-2-carbonitrile is N#Cc1cc(OCCOc2ccccc2)ccn1.
What is the InChIKey of 4-(2-phenoxyethoxy)pyridine-2-carbonitrile?
The InChIKey is GTUYSCLYQDYITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-11-12-10-14(6-7-16-12)18-9-8-17-13-4-2-1-3-5-13/h1-7,10H,8-9H2.
What are the key properties of 4-(2-phenoxyethoxy)pyridine-2-carbonitrile?
4-(2-phenoxyethoxy)pyridine-2-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 62937276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).