(E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide

C12H9FN2O2 — CID 104820724

IUPAC(E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(F)n1
InChIInChI=1S/C12H9FN2O2/c13-10-4-1-5-11(14-10)15-12(16)7-6-9-3-2-8-17-9/h1-8H,(H,14,15,16)/b7-6+
InChIKeyOYFITFCCRGIZRD-VOTSOKGWSA-N
MW232.21 g/mol
LogP2.47
Rot. Bonds3

About (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 104820724) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID104820724
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name(E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(F)n1
InChIInChI=1S/C12H9FN2O2/c13-10-4-1-5-11(14-10)15-12(16)7-6-9-3-2-8-17-9/h1-8H,(H,14,15,16)/b7-6+
InChIKeyOYFITFCCRGIZRD-VOTSOKGWSA-N
XLogP2.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide 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 (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide (CID 104820724) is (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cccc(F)n1.
What is the InChIKey of (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is OYFITFCCRGIZRD-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-10-4-1-5-11(14-10)15-12(16)7-6-9-3-2-8-17-9/h1-8H,(H,14,15,16)/b7-6+.
What are the key properties of (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 232.21 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 104820724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).