3-prop-2-enoxypyridine-2-carboxylic acid

C9H9NO3 — CID 61380069

IUPAC3-prop-2-enoxypyridine-2-carboxylic acid
SMILESC=CCOc1cccnc1C(=O)O
InChIInChI=1S/C9H9NO3/c1-2-6-13-7-4-3-5-10-8(7)9(11)12/h2-5H,1,6H2,(H,11,12)
InChIKeyALLGIKWUFVJOBH-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.34
Rot. Bonds4

About 3-prop-2-enoxypyridine-2-carboxylic acid

3-prop-2-enoxypyridine-2-carboxylic acid (PubChem CID 61380069) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-prop-2-enoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-prop-2-enoxypyridine-2-carboxylic acid
PubChem CID61380069
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name3-prop-2-enoxypyridine-2-carboxylic acid
SMILESC=CCOc1cccnc1C(=O)O
InChIInChI=1S/C9H9NO3/c1-2-6-13-7-4-3-5-10-8(7)9(11)12/h2-5H,1,6H2,(H,11,12)
InChIKeyALLGIKWUFVJOBH-UHFFFAOYSA-N
XLogP1.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypyridine-2-carboxylic acid?
The IUPAC name of 3-prop-2-enoxypyridine-2-carboxylic acid (CID 61380069) is 3-prop-2-enoxypyridine-2-carboxylic acid.
What is the SMILES notation for 3-prop-2-enoxypyridine-2-carboxylic acid?
The canonical SMILES for 3-prop-2-enoxypyridine-2-carboxylic acid is C=CCOc1cccnc1C(=O)O.
What is the InChIKey of 3-prop-2-enoxypyridine-2-carboxylic acid?
The InChIKey is ALLGIKWUFVJOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-2-6-13-7-4-3-5-10-8(7)9(11)12/h2-5H,1,6H2,(H,11,12).
What are the key properties of 3-prop-2-enoxypyridine-2-carboxylic acid?
3-prop-2-enoxypyridine-2-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypyridine-2-carboxylic acid is sourced from PubChem (CID 61380069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).