6-chloro-5-(2-chloroethyl)indol-2-one

C10H7Cl2NO — CID 53420056

IUPAC6-chloro-5-(2-chloroethyl)indol-2-one
SMILESO=C1C=c2cc(CCCl)c(Cl)cc2=N1
InChIInChI=1S/C10H7Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3-5H,1-2H2
InChIKeyBHLMIALYMSOYAX-UHFFFAOYSA-N
MW228.08 g/mol
LogP1.06
Rot. Bonds2

About 6-chloro-5-(2-chloroethyl)indol-2-one

6-chloro-5-(2-chloroethyl)indol-2-one (PubChem CID 53420056) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 6-chloro-5-(2-chloroethyl)indol-2-one.

Molecular Properties

Compound Name6-chloro-5-(2-chloroethyl)indol-2-one
PubChem CID53420056
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name6-chloro-5-(2-chloroethyl)indol-2-one
SMILESO=C1C=c2cc(CCCl)c(Cl)cc2=N1
InChIInChI=1S/C10H7Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3-5H,1-2H2
InChIKeyBHLMIALYMSOYAX-UHFFFAOYSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-chloroethyl)indol-2-one?
The IUPAC name of 6-chloro-5-(2-chloroethyl)indol-2-one (CID 53420056) is 6-chloro-5-(2-chloroethyl)indol-2-one.
What is the SMILES notation for 6-chloro-5-(2-chloroethyl)indol-2-one?
The canonical SMILES for 6-chloro-5-(2-chloroethyl)indol-2-one is O=C1C=c2cc(CCCl)c(Cl)cc2=N1.
What is the InChIKey of 6-chloro-5-(2-chloroethyl)indol-2-one?
The InChIKey is BHLMIALYMSOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3-5H,1-2H2.
What are the key properties of 6-chloro-5-(2-chloroethyl)indol-2-one?
6-chloro-5-(2-chloroethyl)indol-2-one has a molecular weight of 228.08 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-chloroethyl)indol-2-one is sourced from PubChem (CID 53420056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).