(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one

C14H7Cl2FN2O — CID 86662471

IUPAC(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one
SMILESO=C1Nc2cc(Cl)ncc2/C1=C/c1cccc(Cl)c1F
InChIInChI=1S/C14H7Cl2FN2O/c15-10-3-1-2-7(13(10)17)4-8-9-6-18-12(16)5-11(9)19-14(8)20/h1-6H,(H,19,20)/b8-4-
InChIKeyWNNJQPRZJBNGIS-YWEYNIOJSA-N
MW309.13 g/mol
LogP4.02
Rot. Bonds1

About (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one

(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one (PubChem CID 86662471) has the molecular formula C14H7Cl2FN2O and a molecular weight of 309.13 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one
PubChem CID86662471
Molecular FormulaC14H7Cl2FN2O
Molecular Weight309.13 g/mol
Exact Mass307.99
IUPAC Name(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one
SMILESO=C1Nc2cc(Cl)ncc2/C1=C/c1cccc(Cl)c1F
InChIInChI=1S/C14H7Cl2FN2O/c15-10-3-1-2-7(13(10)17)4-8-9-6-18-12(16)5-11(9)19-14(8)20/h1-6H,(H,19,20)/b8-4-
InChIKeyWNNJQPRZJBNGIS-YWEYNIOJSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one (CID 86662471) is (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one is O=C1Nc2cc(Cl)ncc2/C1=C/c1cccc(Cl)c1F.
What is the InChIKey of (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is WNNJQPRZJBNGIS-YWEYNIOJSA-N. The full InChI is InChI=1S/C14H7Cl2FN2O/c15-10-3-1-2-7(13(10)17)4-8-9-6-18-12(16)5-11(9)19-14(8)20/h1-6H,(H,19,20)/b8-4-.
What are the key properties of (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one?
(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 309.13 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 86662471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).