5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one

C14H9ClN2O2 — CID 171716800

IUPAC5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=N/c1ccc(O)cc1
InChIInChI=1S/C14H9ClN2O2/c15-8-1-6-12-11(7-8)13(14(19)17-12)16-9-2-4-10(18)5-3-9/h1-7,18H,(H,16,17,19)
InChIKeyUSCNKTVTPFYIEH-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.12
Rot. Bonds1

About 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one

5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one (PubChem CID 171716800) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
PubChem CID171716800
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=N/c1ccc(O)cc1
InChIInChI=1S/C14H9ClN2O2/c15-8-1-6-12-11(7-8)13(14(19)17-12)16-9-2-4-10(18)5-3-9/h1-7,18H,(H,16,17,19)
InChIKeyUSCNKTVTPFYIEH-UHFFFAOYSA-N
XLogP3.12
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one (CID 171716800) is 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=N/c1ccc(O)cc1.
What is the InChIKey of 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one?
The InChIKey is USCNKTVTPFYIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-8-1-6-12-11(7-8)13(14(19)17-12)16-9-2-4-10(18)5-3-9/h1-7,18H,(H,16,17,19).
What are the key properties of 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one?
5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one has a molecular weight of 272.69 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 171716800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).