3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid

C17H15NO2 — CID 170551856

IUPAC3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid
SMILESCC#CC(CC(=O)O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C17H15NO2/c1-2-6-14(11-17(19)20)15-9-10-16(18-12-15)13-7-4-3-5-8-13/h3-5,7-10,12,14H,11H2,1H3,(H,19,20)
InChIKeyCKWZNRGPKNQKNO-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.33
Rot. Bonds4

About 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid

3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid (PubChem CID 170551856) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid.

Molecular Properties

Compound Name3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid
PubChem CID170551856
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid
SMILESCC#CC(CC(=O)O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C17H15NO2/c1-2-6-14(11-17(19)20)15-9-10-16(18-12-15)13-7-4-3-5-8-13/h3-5,7-10,12,14H,11H2,1H3,(H,19,20)
InChIKeyCKWZNRGPKNQKNO-UHFFFAOYSA-N
XLogP3.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid 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

Isbogrel
CID 5284442
3-(Pyridin-3-yl)propanoic acid
CID 259624
3-Pyridinebutanoic acid
CID 114
3-(1-methyl-1H-indol-3-yl)propanoic acid
CID 344600
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 6537201
Sulcatin
CID 10329907
3-(Pyridin-2-yl)benzoic acid
CID 5152592
3-[4-(Pyridin-3-ylmethyl)phenyl]propanoic acid;hydrochloride
CID 12882186
2-Methyl-3-[4-(pyridin-3-ylmethyl)phenyl]propanoic acid;hydrochloride
CID 12882191
CID 12904539
CID 12904539
8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid
CID 13417259
(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
CID 13417260

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid?
The IUPAC name of 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid (CID 170551856) is 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid.
What is the SMILES notation for 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid?
The canonical SMILES for 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid is CC#CC(CC(=O)O)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid?
The InChIKey is CKWZNRGPKNQKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-6-14(11-17(19)20)15-9-10-16(18-12-15)13-7-4-3-5-8-13/h3-5,7-10,12,14H,11H2,1H3,(H,19,20).
What are the key properties of 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid?
3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenyl-3-pyridinyl)hex-4-ynoic acid is sourced from PubChem (CID 170551856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).