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

C14H7Cl2FN2O — CID 86662474

IUPAC(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Nc2cc(Cl)cnc2/C1=C/c1cccc(Cl)c1F
InChIInChI=1S/C14H7Cl2FN2O/c15-8-5-11-13(18-6-8)9(14(20)19-11)4-7-2-1-3-10(16)12(7)17/h1-6H,(H,19,20)/b9-4-
InChIKeyDQXYRZCXRFKXFY-WTKPLQERSA-N
MW309.13 g/mol
LogP4.02
Rot. Bonds1

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

(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 86662474) 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-b]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID86662474
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-b]pyridin-2-one
SMILESO=C1Nc2cc(Cl)cnc2/C1=C/c1cccc(Cl)c1F
InChIInChI=1S/C14H7Cl2FN2O/c15-8-5-11-13(18-6-8)9(14(20)19-11)4-7-2-1-3-10(16)12(7)17/h1-6H,(H,19,20)/b9-4-
InChIKeyDQXYRZCXRFKXFY-WTKPLQERSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one
CID 86662471
(3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one
CID 58286328
(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one
CID 58286327
6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one;6-chloro-1,3-dihydropyrrolo[3,2-c]pyridin-2-one;3-chloro-2-fluorobenzaldehyde
CID 157472580
(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 114489016
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
3-[(2,3-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57001414
5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde
CID 133093654
(3Z)-5-bromo-3-[(2-chlorophenyl)methylidene]-1H-indol-2-one
CID 46504697
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
(3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one
CID 58662757
4-[(3-chloro-2-fluorophenyl)methylidene]piperidine
CID 102864225

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one (CID 86662474) is (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one is O=C1Nc2cc(Cl)cnc2/C1=C/c1cccc(Cl)c1F.
What is the InChIKey of (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is DQXYRZCXRFKXFY-WTKPLQERSA-N. The full InChI is InChI=1S/C14H7Cl2FN2O/c15-8-5-11-13(18-6-8)9(14(20)19-11)4-7-2-1-3-10(16)12(7)17/h1-6H,(H,19,20)/b9-4-.
What are the key properties of (3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one?
(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]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-b]pyridin-2-one is sourced from PubChem (CID 86662474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).