3-(2-phenylethoxy)-2-pyridin-4-ylpyridine

C18H16N2O — CID 118735185

IUPAC3-(2-phenylethoxy)-2-pyridin-4-ylpyridine
SMILESc1ccc(CCOc2cccnc2-c2ccncc2)cc1
InChIInChI=1S/C18H16N2O/c1-2-5-15(6-3-1)10-14-21-17-7-4-11-20-18(17)16-8-12-19-13-9-16/h1-9,11-13H,10,14H2
InChIKeyNBWUYSDPFJRKEY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.77
Rot. Bonds5

About 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine

3-(2-phenylethoxy)-2-pyridin-4-ylpyridine (PubChem CID 118735185) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name3-(2-phenylethoxy)-2-pyridin-4-ylpyridine
PubChem CID118735185
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-(2-phenylethoxy)-2-pyridin-4-ylpyridine
SMILESc1ccc(CCOc2cccnc2-c2ccncc2)cc1
InChIInChI=1S/C18H16N2O/c1-2-5-15(6-3-1)10-14-21-17-7-4-11-20-18(17)16-8-12-19-13-9-16/h1-9,11-13H,10,14H2
InChIKeyNBWUYSDPFJRKEY-UHFFFAOYSA-N
XLogP3.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol
CID 171833507
3-butoxy-2-(4-hexylphenyl)pyridine
CID 19841922
2-[2-(2-phenylethoxy)phenyl]pyridine
CID 102434679
1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 54930799
1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine
CID 171833564
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
2-(3,5-dimethoxyphenyl)-3-(2-pyridin-2-ylethoxy)pyridine
CID 166385423
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
CID 141329320
4-[2-[2-(3-chloroprop-1-ynyl)phenoxy]ethyl]pyridine
CID 60891129
3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60890550
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine?
The IUPAC name of 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine (CID 118735185) is 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine.
What is the SMILES notation for 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine?
The canonical SMILES for 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine is c1ccc(CCOc2cccnc2-c2ccncc2)cc1.
What is the InChIKey of 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine?
The InChIKey is NBWUYSDPFJRKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-5-15(6-3-1)10-14-21-17-7-4-11-20-18(17)16-8-12-19-13-9-16/h1-9,11-13H,10,14H2.
What are the key properties of 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine?
3-(2-phenylethoxy)-2-pyridin-4-ylpyridine has a molecular weight of 276.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)-2-pyridin-4-ylpyridine is sourced from PubChem (CID 118735185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).