2-ethenyl-1H-pyridine-2-carboxylic acid

C8H9NO2 — CID 139608534

IUPAC2-ethenyl-1H-pyridine-2-carboxylic acid
SMILESC=CC1(C(=O)O)C=CC=CN1
InChIInChI=1S/C8H9NO2/c1-2-8(7(10)11)5-3-4-6-9-8/h2-6,9H,1H2,(H,10,11)
InChIKeyXKLYZMCODANBEW-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.67
Rot. Bonds2

About 2-ethenyl-1H-pyridine-2-carboxylic acid

2-ethenyl-1H-pyridine-2-carboxylic acid (PubChem CID 139608534) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-ethenyl-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethenyl-1H-pyridine-2-carboxylic acid
PubChem CID139608534
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-ethenyl-1H-pyridine-2-carboxylic acid
SMILESC=CC1(C(=O)O)C=CC=CN1
InChIInChI=1S/C8H9NO2/c1-2-8(7(10)11)5-3-4-6-9-8/h2-6,9H,1H2,(H,10,11)
InChIKeyXKLYZMCODANBEW-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-ethenyl-1H-pyridine-2-carboxylic acid?
The IUPAC name of 2-ethenyl-1H-pyridine-2-carboxylic acid (CID 139608534) is 2-ethenyl-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 2-ethenyl-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 2-ethenyl-1H-pyridine-2-carboxylic acid is C=CC1(C(=O)O)C=CC=CN1.
What is the InChIKey of 2-ethenyl-1H-pyridine-2-carboxylic acid?
The InChIKey is XKLYZMCODANBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-8(7(10)11)5-3-4-6-9-8/h2-6,9H,1H2,(H,10,11).
What are the key properties of 2-ethenyl-1H-pyridine-2-carboxylic acid?
2-ethenyl-1H-pyridine-2-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 139608534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).