4-ethenyl-2-pyridin-4-ylbenzoic acid

C14H11NO2 — CID 154574011

IUPAC4-ethenyl-2-pyridin-4-ylbenzoic acid
SMILESC=Cc1ccc(C(=O)O)c(-c2ccncc2)c1
InChIInChI=1S/C14H11NO2/c1-2-10-3-4-12(14(16)17)13(9-10)11-5-7-15-8-6-11/h2-9H,1H2,(H,16,17)
InChIKeyUTCITYZCJZNKLU-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.09
Rot. Bonds3

About 4-ethenyl-2-pyridin-4-ylbenzoic acid

4-ethenyl-2-pyridin-4-ylbenzoic acid (PubChem CID 154574011) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-ethenyl-2-pyridin-4-ylbenzoic acid.

Molecular Properties

Compound Name4-ethenyl-2-pyridin-4-ylbenzoic acid
PubChem CID154574011
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4-ethenyl-2-pyridin-4-ylbenzoic acid
SMILESC=Cc1ccc(C(=O)O)c(-c2ccncc2)c1
InChIInChI=1S/C14H11NO2/c1-2-10-3-4-12(14(16)17)13(9-10)11-5-7-15-8-6-11/h2-9H,1H2,(H,16,17)
InChIKeyUTCITYZCJZNKLU-UHFFFAOYSA-N
XLogP3.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-pyridin-4-ylbenzoic acid?
The IUPAC name of 4-ethenyl-2-pyridin-4-ylbenzoic acid (CID 154574011) is 4-ethenyl-2-pyridin-4-ylbenzoic acid.
What is the SMILES notation for 4-ethenyl-2-pyridin-4-ylbenzoic acid?
The canonical SMILES for 4-ethenyl-2-pyridin-4-ylbenzoic acid is C=Cc1ccc(C(=O)O)c(-c2ccncc2)c1.
What is the InChIKey of 4-ethenyl-2-pyridin-4-ylbenzoic acid?
The InChIKey is UTCITYZCJZNKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-2-10-3-4-12(14(16)17)13(9-10)11-5-7-15-8-6-11/h2-9H,1H2,(H,16,17).
What are the key properties of 4-ethenyl-2-pyridin-4-ylbenzoic acid?
4-ethenyl-2-pyridin-4-ylbenzoic acid has a molecular weight of 225.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-pyridin-4-ylbenzoic acid is sourced from PubChem (CID 154574011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).