3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid

C14H11NO3 — CID 170887253

IUPAC3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
SMILESO=C(O)CC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C14H11NO3/c16-13(8-14(17)18)11-5-3-10(4-6-11)12-2-1-7-15-9-12/h1-7,9H,8H2,(H,17,18)
InChIKeyBAIANBWATGDHAI-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.41
Rot. Bonds4

About 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid

3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid (PubChem CID 170887253) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
PubChem CID170887253
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
SMILESO=C(O)CC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C14H11NO3/c16-13(8-14(17)18)11-5-3-10(4-6-11)12-2-1-7-15-9-12/h1-7,9H,8H2,(H,17,18)
InChIKeyBAIANBWATGDHAI-UHFFFAOYSA-N
XLogP2.41
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
3-azulen-6-ylpyridine
CID 86232079
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 146021058
N-(2-hydroxyphenyl)-4-pyridin-3-ylbenzamide
CID 59672983
cyclopenta[c]azepine
CID 638010
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
(Z)-3-amino-2-(4-pyridin-3-ylphenyl)prop-2-enamide
CID 138698866
2-(2-chloro-5-pyridin-3-ylphenyl)acetic acid
CID 166638918
N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 89034600
3-oxo-3-(3-pyridazin-4-ylphenyl)propanoic acid
CID 22317542

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid?
The IUPAC name of 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid (CID 170887253) is 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid.
What is the SMILES notation for 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid?
The canonical SMILES for 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid is O=C(O)CC(=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid?
The InChIKey is BAIANBWATGDHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-13(8-14(17)18)11-5-3-10(4-6-11)12-2-1-7-15-9-12/h1-7,9H,8H2,(H,17,18).
What are the key properties of 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid?
3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 170887253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).