2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid

C15H15NO2 — CID 117001540

IUPAC2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(CCc2ccccc2)nc1
InChIInChI=1S/C15H15NO2/c17-15(18)10-13-7-9-14(16-11-13)8-6-12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,10H2,(H,17,18)
InChIKeyGTSHBPFWWCDQDH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.49
Rot. Bonds5

About 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid

2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid (PubChem CID 117001540) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid
PubChem CID117001540
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(CCc2ccccc2)nc1
InChIInChI=1S/C15H15NO2/c17-15(18)10-13-7-9-14(16-11-13)8-6-12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,10H2,(H,17,18)
InChIKeyGTSHBPFWWCDQDH-UHFFFAOYSA-N
XLogP2.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[6-(2-phenylethyl)-3-pyridinyl]acetic 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

6-(2-phenylethyl)pyridine-3-carboxylic acid
CID 150942335
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
3-(2-phenylethyl)-6-[2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl]pyridazine
CID 59439101
CID 66868100
CID 66868100
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
2-(6-tert-butyl-3-pyridinyl)acetic acid
CID 58436565

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid (CID 117001540) is 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1ccc(CCc2ccccc2)nc1.
What is the InChIKey of 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid?
The InChIKey is GTSHBPFWWCDQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)10-13-7-9-14(16-11-13)8-6-12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,10H2,(H,17,18).
What are the key properties of 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid?
2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 117001540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).