2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid

C16H14ClNO3 — CID 82063259

IUPAC2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1ccc(/C=C/c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C16H14ClNO3/c1-11(16(20)21)18-9-8-13(10-15(18)19)3-2-12-4-6-14(17)7-5-12/h2-11H,1H3,(H,20,21)/b3-2+
InChIKeyFTIVPHMUFYPBSF-NSCUHMNNSA-N
MW303.75 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid

2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 82063259) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
PubChem CID82063259
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1ccc(/C=C/c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C16H14ClNO3/c1-11(16(20)21)18-9-8-13(10-15(18)19)3-2-12-4-6-14(17)7-5-12/h2-11H,1H3,(H,20,21)/b3-2+
InChIKeyFTIVPHMUFYPBSF-NSCUHMNNSA-N
XLogP3.32
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
CID 82063262
2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid
CID 82063264
2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
CID 53269466
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile
CID 82143768
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 19176841
(2S)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
CID 2384027
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
(E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid
CID 70434643
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea
CID 108908327
2-[5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 2789012
1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
CID 122203276
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid (CID 82063259) is 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid is CC(C(=O)O)n1ccc(/C=C/c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is FTIVPHMUFYPBSF-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11(16(20)21)18-9-8-13(10-15(18)19)3-2-12-4-6-14(17)7-5-12/h2-11H,1H3,(H,20,21)/b3-2+.
What are the key properties of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid?
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 82063259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).