5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one

C15H9ClN2O2 — CID 67957871

IUPAC5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=CC(=O)c1cccnc1
InChIInChI=1S/C15H9ClN2O2/c16-10-3-4-13-11(6-10)12(15(20)18-13)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20)
InChIKeyKHOAWABCAALLAC-UHFFFAOYSA-N
MW284.70 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one

5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one (PubChem CID 67957871) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
PubChem CID67957871
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=CC(=O)c1cccnc1
InChIInChI=1S/C15H9ClN2O2/c16-10-3-4-13-11(6-10)12(15(20)18-13)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20)
InChIKeyKHOAWABCAALLAC-UHFFFAOYSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 2929
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CID 9797919
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CID 67120985
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CID 16720090
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CID 16720091
CID 16720091
CID 16720093
CID 16720093
CID 16720432
CID 16720432
CID 54586674
CID 54586674
CID 2121893
CID 2121893
CID 2226536
CID 2226536
CID 4604410
CID 4604410
CID 2664862
CID 2664862

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one (CID 67957871) is 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1=CC(=O)c1cccnc1.
What is the InChIKey of 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
The InChIKey is KHOAWABCAALLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-10-3-4-13-11(6-10)12(15(20)18-13)7-14(19)9-2-1-5-17-8-9/h1-8H,(H,18,20).
What are the key properties of 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one has a molecular weight of 284.70 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one is sourced from PubChem (CID 67957871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).