(3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one

C17H11Cl2FN2O2 — CID 58478785

IUPAC(3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one
SMILESCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(Cl)c(Cl)c21
InChIInChI=1S/C17H11Cl2FN2O2/c1-2-11-12-9(6-21-16(19)14(12)18)15(24-11)13-8-5-7(20)3-4-10(8)22-17(13)23/h3-6,11H,2H2,1H3,(H,22,23)/b15-13+
InChIKeyMKLIMLQZLQVXPW-FYWRMAATSA-N
MW365.19 g/mol
LogP4.83
Rot. Bonds1

About (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one

(3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one (PubChem CID 58478785) has the molecular formula C17H11Cl2FN2O2 and a molecular weight of 365.19 g/mol. Its IUPAC name is (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one
PubChem CID58478785
Molecular FormulaC17H11Cl2FN2O2
Molecular Weight365.19 g/mol
Exact Mass364.02
IUPAC Name(3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one
SMILESCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(Cl)c(Cl)c21
InChIInChI=1S/C17H11Cl2FN2O2/c1-2-11-12-9(6-21-16(19)14(12)18)15(24-11)13-8-5-7(20)3-4-10(8)22-17(13)23/h3-6,11H,2H2,1H3,(H,22,23)/b15-13+
InChIKeyMKLIMLQZLQVXPW-FYWRMAATSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 54.83
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 (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one 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 (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one (CID 58478785) is (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one is CCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(Cl)c(Cl)c21.
What is the InChIKey of (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
The InChIKey is MKLIMLQZLQVXPW-FYWRMAATSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O2/c1-2-11-12-9(6-21-16(19)14(12)18)15(24-11)13-8-5-7(20)3-4-10(8)22-17(13)23/h3-6,11H,2H2,1H3,(H,22,23)/b15-13+.
What are the key properties of (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
(3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one has a molecular weight of 365.19 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(6,7-dichloro-1-ethyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 58478785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).