2-phenylpyridine;3-prop-2-ynoxyprop-1-yne

C17H15NO — CID 157135831

IUPAC2-phenylpyridine;3-prop-2-ynoxyprop-1-yne
SMILESC#CCOCC#C.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C11H9N.C6H6O/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-5-7-6-4-2/h1-9H;1-2H,5-6H2
InChIKeyAJPMCQPLXBPRQO-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.02
Rot. Bonds3

About 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne

2-phenylpyridine;3-prop-2-ynoxyprop-1-yne (PubChem CID 157135831) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne.

Molecular Properties

Compound Name2-phenylpyridine;3-prop-2-ynoxyprop-1-yne
PubChem CID157135831
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-phenylpyridine;3-prop-2-ynoxyprop-1-yne
SMILESC#CCOCC#C.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C11H9N.C6H6O/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-5-7-6-4-2/h1-9H;1-2H,5-6H2
InChIKeyAJPMCQPLXBPRQO-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne 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

hydrazine;2-phenylpyridine
CID 158673997
formyl chloride;2-phenylpyridine
CID 175066008
2-phenylpyridine;propan-2-one
CID 174845023
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
CID 159285657

Frequently Asked Questions

What is the IUPAC name of 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne?
The IUPAC name of 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne (CID 157135831) is 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne.
What is the SMILES notation for 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne?
The canonical SMILES for 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne is C#CCOCC#C.c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne?
The InChIKey is AJPMCQPLXBPRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N.C6H6O/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-5-7-6-4-2/h1-9H;1-2H,5-6H2.
What are the key properties of 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne?
2-phenylpyridine;3-prop-2-ynoxyprop-1-yne has a molecular weight of 249.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyridine;3-prop-2-ynoxyprop-1-yne is sourced from PubChem (CID 157135831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).