5-ethenylpyridine-2-carboxylic acid

C8H7NO2 — CID 23061538

IUPAC5-ethenylpyridine-2-carboxylic acid
SMILESC=Cc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H7NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h2-5H,1H2,(H,10,11)
InChIKeyADRIIDWWYDDLIH-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.42
Rot. Bonds2

About 5-ethenylpyridine-2-carboxylic acid

5-ethenylpyridine-2-carboxylic acid (PubChem CID 23061538) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-ethenylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethenylpyridine-2-carboxylic acid
PubChem CID23061538
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name5-ethenylpyridine-2-carboxylic acid
SMILESC=Cc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H7NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h2-5H,1H2,(H,10,11)
InChIKeyADRIIDWWYDDLIH-UHFFFAOYSA-N
XLogP1.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylpyridine-2-carboxylic acid?
The IUPAC name of 5-ethenylpyridine-2-carboxylic acid (CID 23061538) is 5-ethenylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethenylpyridine-2-carboxylic acid?
The canonical SMILES for 5-ethenylpyridine-2-carboxylic acid is C=Cc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-ethenylpyridine-2-carboxylic acid?
The InChIKey is ADRIIDWWYDDLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h2-5H,1H2,(H,10,11).
What are the key properties of 5-ethenylpyridine-2-carboxylic acid?
5-ethenylpyridine-2-carboxylic acid has a molecular weight of 149.15 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylpyridine-2-carboxylic acid is sourced from PubChem (CID 23061538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).