(3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one

C20H13ClN2O — CID 58662757

IUPAC(3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one
SMILESO=C1Nc2cc(-c3cccnc3)ccc2/C1=C\c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-18-6-2-1-4-14(18)10-17-16-8-7-13(11-19(16)23-20(17)24)15-5-3-9-22-12-15/h1-12H,(H,23,24)/b17-10+
InChIKeySMYCDOOTNBDJPJ-LICLKQGHSA-N
MW332.79 g/mol
LogP4.89
Rot. Bonds2

About (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one

(3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one (PubChem CID 58662757) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one
PubChem CID58662757
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name(3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one
SMILESO=C1Nc2cc(-c3cccnc3)ccc2/C1=C\c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-18-6-2-1-4-14(18)10-17-16-8-7-13(11-19(16)23-20(17)24)15-5-3-9-22-12-15/h1-12H,(H,23,24)/b17-10+
InChIKeySMYCDOOTNBDJPJ-LICLKQGHSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(2-ethylphenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one
CID 58662755
(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one
CID 166225937
1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
CID 10108972
(3Z)-3-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-6-chloro-1H-indol-2-one
CID 2161039
(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11514939
(3Z)-5-bromo-3-[(2-chlorophenyl)methylidene]-1H-indol-2-one
CID 46504697
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 11602565
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-pyridin-3-yl-1H-indol-2-one;hydrochloride
CID 56667992
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
(3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one
CID 58286328
(3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one
CID 58662740
(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one
CID 86662471

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one (CID 58662757) is (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one is O=C1Nc2cc(-c3cccnc3)ccc2/C1=C\c1ccccc1Cl.
What is the InChIKey of (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one?
The InChIKey is SMYCDOOTNBDJPJ-LICLKQGHSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-18-6-2-1-4-14(18)10-17-16-8-7-13(11-19(16)23-20(17)24)15-5-3-9-22-12-15/h1-12H,(H,23,24)/b17-10+.
What are the key properties of (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one?
(3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one has a molecular weight of 332.79 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-chlorophenyl)methylidene]-6-pyridin-3-yl-1H-indol-2-one is sourced from PubChem (CID 58662757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).