5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine

C20H15NO2 — CID 172879468

IUPAC5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine
SMILESC#Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C20H15NO2/c1-2-16-8-13-20(21-14-16)23-19-11-9-18(10-12-19)22-15-17-6-4-3-5-7-17/h1,3-14H,15H2
InChIKeyNETVRKXPRFTFPK-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.43
Rot. Bonds5

About 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine

5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine (PubChem CID 172879468) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine.

Molecular Properties

Compound Name5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine
PubChem CID172879468
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine
SMILESC#Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C20H15NO2/c1-2-16-8-13-20(21-14-16)23-19-11-9-18(10-12-19)22-15-17-6-4-3-5-7-17/h1,3-14H,15H2
InChIKeyNETVRKXPRFTFPK-UHFFFAOYSA-N
XLogP4.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-5-ethynylpyridine
CID 172879466
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447
acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate
CID 139794426
2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 22484910
2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
CID 139794434
ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol
CID 167499413
6-(4-benzylphenoxy)pyridin-3-amine
CID 62274041
2-[[2-[6-[4-[(4-cyanophenyl)methoxy]phenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 148775591
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
CID 141463365
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-methyl-5-phenylmethoxypyrimidine
CID 59993103

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine?
The IUPAC name of 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine (CID 172879468) is 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine.
What is the SMILES notation for 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine?
The canonical SMILES for 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine is C#Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine?
The InChIKey is NETVRKXPRFTFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-2-16-8-13-20(21-14-16)23-19-11-9-18(10-12-19)22-15-17-6-4-3-5-7-17/h1,3-14H,15H2.
What are the key properties of 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine?
5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine has a molecular weight of 301.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine is sourced from PubChem (CID 172879468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).