2-(2H-pyridin-3-ylidene)propanoic acid

C8H9NO2 — CID 140510678

IUPAC2-(2H-pyridin-3-ylidene)propanoic acid
SMILESCC(C(=O)O)=C1C=CC=NC1
InChIInChI=1S/C8H9NO2/c1-6(8(10)11)7-3-2-4-9-5-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyQEARHSVQIPBEAT-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.03
Rot. Bonds1

About 2-(2H-pyridin-3-ylidene)propanoic acid

2-(2H-pyridin-3-ylidene)propanoic acid (PubChem CID 140510678) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(2H-pyridin-3-ylidene)propanoic acid.

Molecular Properties

Compound Name2-(2H-pyridin-3-ylidene)propanoic acid
PubChem CID140510678
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-(2H-pyridin-3-ylidene)propanoic acid
SMILESCC(C(=O)O)=C1C=CC=NC1
InChIInChI=1S/C8H9NO2/c1-6(8(10)11)7-3-2-4-9-5-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyQEARHSVQIPBEAT-UHFFFAOYSA-N
XLogP1.03
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2H-pyridin-3-ylidene)propanoic 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 2-(2H-pyridin-3-ylidene)propanoic acid?
The IUPAC name of 2-(2H-pyridin-3-ylidene)propanoic acid (CID 140510678) is 2-(2H-pyridin-3-ylidene)propanoic acid.
What is the SMILES notation for 2-(2H-pyridin-3-ylidene)propanoic acid?
The canonical SMILES for 2-(2H-pyridin-3-ylidene)propanoic acid is CC(C(=O)O)=C1C=CC=NC1.
What is the InChIKey of 2-(2H-pyridin-3-ylidene)propanoic acid?
The InChIKey is QEARHSVQIPBEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(8(10)11)7-3-2-4-9-5-7/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 2-(2H-pyridin-3-ylidene)propanoic acid?
2-(2H-pyridin-3-ylidene)propanoic acid has a molecular weight of 151.16 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyridin-3-ylidene)propanoic acid is sourced from PubChem (CID 140510678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).