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

C18H13Cl2FN2O2 — CID 58478800

IUPAC(3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one
SMILESCCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(Cl)c(Cl)c21
InChIInChI=1S/C18H13Cl2FN2O2/c1-2-3-12-13-10(7-22-17(20)15(13)19)16(25-12)14-9-6-8(21)4-5-11(9)23-18(14)24/h4-7,12H,2-3H2,1H3,(H,23,24)/b16-14+
InChIKeySDNWQGIHRBPSJV-JQIJEIRASA-N
MW379.22 g/mol
LogP5.22
Rot. Bonds2

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

(3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one (PubChem CID 58478800) has the molecular formula C18H13Cl2FN2O2 and a molecular weight of 379.22 g/mol. Its IUPAC name is (3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one
PubChem CID58478800
Molecular FormulaC18H13Cl2FN2O2
Molecular Weight379.22 g/mol
Exact Mass378.03
IUPAC Name(3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one
SMILESCCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(Cl)c(Cl)c21
InChIInChI=1S/C18H13Cl2FN2O2/c1-2-3-12-13-10(7-22-17(20)15(13)19)16(25-12)14-9-6-8(21)4-5-11(9)23-18(14)24/h4-7,12H,2-3H2,1H3,(H,23,24)/b16-14+
InChIKeySDNWQGIHRBPSJV-JQIJEIRASA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.22
LogP ≤ 55.22
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-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one (CID 58478800) is (3E)-3-(6,7-dichloro-1-propyl-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-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one is CCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(Cl)c(Cl)c21.
What is the InChIKey of (3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
The InChIKey is SDNWQGIHRBPSJV-JQIJEIRASA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2/c1-2-3-12-13-10(7-22-17(20)15(13)19)16(25-12)14-9-6-8(21)4-5-11(9)23-18(14)24/h4-7,12H,2-3H2,1H3,(H,23,24)/b16-14+.
What are the key properties of (3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
(3E)-3-(6,7-dichloro-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one has a molecular weight of 379.22 g/mol, XLogP of 5.22, 2 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-propyl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 58478800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).