5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid

C20H15NO2 — CID 142817182

IUPAC5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)cnc1/C=C/c1ccccc1
InChIInChI=1S/C20H15NO2/c22-20(23)18-13-17(16-9-5-2-6-10-16)14-21-19(18)12-11-15-7-3-1-4-8-15/h1-14H,(H,22,23)/b12-11+
InChIKeyAZHTZKCUPMERLR-VAWYXSNFSA-N
MW301.35 g/mol
LogP4.62
Rot. Bonds4

About 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid

5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid (PubChem CID 142817182) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid
PubChem CID142817182
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)cnc1/C=C/c1ccccc1
InChIInChI=1S/C20H15NO2/c22-20(23)18-13-17(16-9-5-2-6-10-16)14-21-19(18)12-11-15-7-3-1-4-8-15/h1-14H,(H,22,23)/b12-11+
InChIKeyAZHTZKCUPMERLR-VAWYXSNFSA-N
XLogP4.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
CID 46868614
3-methoxy-5-phenylpyridine-2-carbaldehyde
CID 131304226
2-bromo-4-(2-phenylethenyl)benzoic acid
CID 57235954
5-hydroxy-2-[2-(4-phenylphenyl)ethenyl]pyridine-4-carboxamide
CID 91033102
acetic acid;stilbene
CID 172803728
2-[(E)-2-phenylethenyl]azulene
CID 12674002
2-ethenyl-5-phenylbenzene-1,3-dicarboxylic acid
CID 175572544
2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 46315833
5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid
CID 139449286
2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid
CID 22722084
3-[2-(5-phenyl-2-pyridinyl)ethenyl]benzaldehyde
CID 54097716

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid (CID 142817182) is 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2)cnc1/C=C/c1ccccc1.
What is the InChIKey of 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid?
The InChIKey is AZHTZKCUPMERLR-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H15NO2/c22-20(23)18-13-17(16-9-5-2-6-10-16)14-21-19(18)12-11-15-7-3-1-4-8-15/h1-14H,(H,22,23)/b12-11+.
What are the key properties of 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid?
5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 142817182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).