(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione

C14H8ClFN2O2 — CID 66764493

IUPAC(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione
SMILESO=C1Nc2cc(=O)[nH]cc2/C1=C/c1cccc(Cl)c1F
InChIInChI=1S/C14H8ClFN2O2/c15-10-3-1-2-7(13(10)16)4-8-9-6-17-12(19)5-11(9)18-14(8)20/h1-6H,(H,17,19)(H,18,20)/b8-4-
InChIKeyOPAYIRUBXFETPI-YWEYNIOJSA-N
MW290.68 g/mol
LogP2.66
Rot. Bonds1

About (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione

(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione (PubChem CID 66764493) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione.

Molecular Properties

Compound Name(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione
PubChem CID66764493
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione
SMILESO=C1Nc2cc(=O)[nH]cc2/C1=C/c1cccc(Cl)c1F
InChIInChI=1S/C14H8ClFN2O2/c15-10-3-1-2-7(13(10)16)4-8-9-6-17-12(19)5-11(9)18-14(8)20/h1-6H,(H,17,19)(H,18,20)/b8-4-
InChIKeyOPAYIRUBXFETPI-YWEYNIOJSA-N
XLogP2.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione?
The IUPAC name of (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione (CID 66764493) is (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione.
What is the SMILES notation for (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione?
The canonical SMILES for (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione is O=C1Nc2cc(=O)[nH]cc2/C1=C/c1cccc(Cl)c1F.
What is the InChIKey of (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione?
The InChIKey is OPAYIRUBXFETPI-YWEYNIOJSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-10-3-1-2-7(13(10)16)4-8-9-6-17-12(19)5-11(9)18-14(8)20/h1-6H,(H,17,19)(H,18,20)/b8-4-.
What are the key properties of (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione?
(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione has a molecular weight of 290.68 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]-1,5-dihydropyrrolo[3,2-c]pyridine-2,6-dione is sourced from PubChem (CID 66764493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).