1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid

C10H9NO5 — CID 46868566

IUPAC1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid
SMILESC=C(Cn1ccc(C(=O)O)cc1=O)C(=O)O
InChIInChI=1S/C10H9NO5/c1-6(9(13)14)5-11-3-2-7(10(15)16)4-8(11)12/h2-4H,1,5H2,(H,13,14)(H,15,16)
InChIKeyXIQFHPOQCBDMRR-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.19
Rot. Bonds4

About 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid

1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 46868566) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid
PubChem CID46868566
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid
SMILESC=C(Cn1ccc(C(=O)O)cc1=O)C(=O)O
InChIInChI=1S/C10H9NO5/c1-6(9(13)14)5-11-3-2-7(10(15)16)4-8(11)12/h2-4H,1,5H2,(H,13,14)(H,15,16)
InChIKeyXIQFHPOQCBDMRR-UHFFFAOYSA-N
XLogP0.19
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid
CID 82903725
1-(5-hydroxypentyl)-2-oxopyridine-4-carboxylic acid
CID 82901975
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
2-oxo-1-prop-2-ynylpyridine-4-carboxylic acid
CID 82902412
1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
CID 44600577
1-[2-(cyanomethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82898006
1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82901827
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82903265
1-hexyl-2-oxopyridine-4-carboxylic acid
CID 82901807
1-[(5-bromothiophen-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901684
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82918341
1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502747

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid (CID 46868566) is 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid is C=C(Cn1ccc(C(=O)O)cc1=O)C(=O)O.
What is the InChIKey of 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is XIQFHPOQCBDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-6(9(13)14)5-11-3-2-7(10(15)16)4-8(11)12/h2-4H,1,5H2,(H,13,14)(H,15,16).
What are the key properties of 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid?
1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 223.18 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 46868566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).