2-oxo-1-prop-2-enylpyridine-3-carboxylic acid

C9H9NO3 — CID 2763481

IUPAC2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
SMILESC=CCn1cccc(C(=O)O)c1=O
InChIInChI=1S/C9H9NO3/c1-2-5-10-6-3-4-7(8(10)11)9(12)13/h2-4,6H,1,5H2,(H,12,13)
InChIKeyNNKVCVYNECBKPK-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.73
Rot. Bonds3

About 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid

2-oxo-1-prop-2-enylpyridine-3-carboxylic acid (PubChem CID 2763481) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
PubChem CID2763481
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
SMILESC=CCn1cccc(C(=O)O)c1=O
InChIInChI=1S/C9H9NO3/c1-2-5-10-6-3-4-7(8(10)11)9(12)13/h2-4,6H,1,5H2,(H,12,13)
InChIKeyNNKVCVYNECBKPK-UHFFFAOYSA-N
XLogP0.73
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxynicotinic acid
CID 69114
1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 1201510
3-(2-Oxo-1,2-dihydropyridin-1-yl)propanoic acid
CID 288086
1-Hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 19377971
1,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 14998715
1-(2-Methoxyethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 22754326
1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 37134599
1-[2-(Tert-butoxy)-2-oxoethyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 70325949
1-Cyclopropyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 72942813
5-Bromo-1-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 82665410
3-Pyridinecarboxylic acid, 1-cyclobutyl-1,2-dihydro-2-oxo-
CID 86277097
4-oxo-4H-quinolizine-3-carboxylic acid
CID 15632080

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid (CID 2763481) is 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid is C=CCn1cccc(C(=O)O)c1=O.
What is the InChIKey of 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
The InChIKey is NNKVCVYNECBKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-2-5-10-6-3-4-7(8(10)11)9(12)13/h2-4,6H,1,5H2,(H,12,13).
What are the key properties of 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
2-oxo-1-prop-2-enylpyridine-3-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-prop-2-enylpyridine-3-carboxylic acid is sourced from PubChem (CID 2763481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).