3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid

C8H7NO4 — CID 71376843

IUPAC3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1[nH]c(=O)ccc1O
InChIInChI=1S/C8H7NO4/c10-6-2-3-7(11)9-5(6)1-4-8(12)13/h1-4,10H,(H,9,11)(H,12,13)
InChIKeyKNNGWUOWTAIOHD-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.18
Rot. Bonds2

About 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid

3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid (PubChem CID 71376843) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid
PubChem CID71376843
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1[nH]c(=O)ccc1O
InChIInChI=1S/C8H7NO4/c10-6-2-3-7(11)9-5(6)1-4-8(12)13/h1-4,10H,(H,9,11)(H,12,13)
InChIKeyKNNGWUOWTAIOHD-UHFFFAOYSA-N
XLogP0.18
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid?
The IUPAC name of 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid (CID 71376843) is 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid?
The canonical SMILES for 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid is O=C(O)C=Cc1[nH]c(=O)ccc1O.
What is the InChIKey of 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid?
The InChIKey is KNNGWUOWTAIOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c10-6-2-3-7(11)9-5(6)1-4-8(12)13/h1-4,10H,(H,9,11)(H,12,13).
What are the key properties of 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid?
3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid has a molecular weight of 181.15 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-6-oxo-1H-pyridin-2-yl)prop-2-enoic acid is sourced from PubChem (CID 71376843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).