2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid

C20H14N2O4 — CID 67361683

IUPAC2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nccc(C(=O)O)c2C=Cc2ccccc2)c1
InChIInChI=1S/C20H14N2O4/c23-19(24)14-8-10-21-17(12-14)18-15(16(20(25)26)9-11-22-18)7-6-13-4-2-1-3-5-13/h1-12H,(H,23,24)(H,25,26)
InChIKeyHUFDOBPHQYHNLY-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid (PubChem CID 67361683) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid
PubChem CID67361683
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nccc(C(=O)O)c2C=Cc2ccccc2)c1
InChIInChI=1S/C20H14N2O4/c23-19(24)14-8-10-21-17(12-14)18-15(16(20(25)26)9-11-22-18)7-6-13-4-2-1-3-5-13/h1-12H,(H,23,24)(H,25,26)
InChIKeyHUFDOBPHQYHNLY-UHFFFAOYSA-N
XLogP3.71
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid (CID 67361683) is 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2nccc(C(=O)O)c2C=Cc2ccccc2)c1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid?
The InChIKey is HUFDOBPHQYHNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-19(24)14-8-10-21-17(12-14)18-15(16(20(25)26)9-11-22-18)7-6-13-4-2-1-3-5-13/h1-12H,(H,23,24)(H,25,26).
What are the key properties of 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid?
2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid has a molecular weight of 346.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)-3-(2-phenylethenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 67361683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).