(3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one

C15H8ClFN2O2 — CID 58478747

IUPAC(3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2c1ccnc2Cl
InChIInChI=1S/C15H8ClFN2O2/c16-14-10-6-21-13(8(10)3-4-18-14)12-9-5-7(17)1-2-11(9)19-15(12)20/h1-5H,6H2,(H,19,20)/b13-12+
InChIKeyMLKYAZCYUOGEGU-OUKQBFOZSA-N
MW302.69 g/mol
LogP3.22
Rot. Bonds

About (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one

(3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one (PubChem CID 58478747) has the molecular formula C15H8ClFN2O2 and a molecular weight of 302.69 g/mol. Its IUPAC name is (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one
PubChem CID58478747
Molecular FormulaC15H8ClFN2O2
Molecular Weight302.69 g/mol
Exact Mass302.03
IUPAC Name(3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2c1ccnc2Cl
InChIInChI=1S/C15H8ClFN2O2/c16-14-10-6-21-13(8(10)3-4-18-14)12-9-5-7(17)1-2-11(9)19-15(12)20/h1-5H,6H2,(H,19,20)/b13-12+
InChIKeyMLKYAZCYUOGEGU-OUKQBFOZSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.69
LogP ≤ 53.22
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one (CID 58478747) is (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C1\OCc2c1ccnc2Cl.
What is the InChIKey of (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one?
The InChIKey is MLKYAZCYUOGEGU-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H8ClFN2O2/c16-14-10-6-21-13(8(10)3-4-18-14)12-9-5-7(17)1-2-11(9)19-15(12)20/h1-5H,6H2,(H,19,20)/b13-12+.
What are the key properties of (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one?
(3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one has a molecular weight of 302.69 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(4-chloro-3H-furo[3,4-c]pyridin-1-ylidene)-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 58478747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).