(3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one

C15H9FN2O2 — CID 58478737

IUPAC(3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2ncccc21
InChIInChI=1S/C15H9FN2O2/c16-8-3-4-11-10(6-8)13(15(19)18-11)14-9-2-1-5-17-12(9)7-20-14/h1-6H,7H2,(H,18,19)/b14-13+
InChIKeyNSUJIXFYNWRAFD-BUHFOSPRSA-N
MW268.25 g/mol
LogP2.57
Rot. Bonds

About (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one

(3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one (PubChem CID 58478737) has the molecular formula C15H9FN2O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one
PubChem CID58478737
Molecular FormulaC15H9FN2O2
Molecular Weight268.25 g/mol
Exact Mass268.06
IUPAC Name(3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2ncccc21
InChIInChI=1S/C15H9FN2O2/c16-8-3-4-11-10(6-8)13(15(19)18-11)14-9-2-1-5-17-12(9)7-20-14/h1-6H,7H2,(H,18,19)/b14-13+
InChIKeyNSUJIXFYNWRAFD-BUHFOSPRSA-N
XLogP2.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one (CID 58478737) is (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C1\OCc2ncccc21.
What is the InChIKey of (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one?
The InChIKey is NSUJIXFYNWRAFD-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H9FN2O2/c16-8-3-4-11-10(6-8)13(15(19)18-11)14-9-2-1-5-17-12(9)7-20-14/h1-6H,7H2,(H,18,19)/b14-13+.
What are the key properties of (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one?
(3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one has a molecular weight of 268.25 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-(7H-furo[3,4-b]pyridin-5-ylidene)-1H-indol-2-one is sourced from PubChem (CID 58478737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).