5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole

C11H11Cl2IN2O — CID 86723153

IUPAC5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole
SMILESClCCOCCn1nc(I)c2cc(Cl)ccc21
InChIInChI=1S/C11H11Cl2IN2O/c12-3-5-17-6-4-16-10-2-1-8(13)7-9(10)11(14)15-16/h1-2,7H,3-6H2
InChIKeyWMZWKGMJTYHRED-UHFFFAOYSA-N
MW385.03 g/mol
LogP3.55
Rot. Bonds5

About 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole

5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole (PubChem CID 86723153) has the molecular formula C11H11Cl2IN2O and a molecular weight of 385.03 g/mol. Its IUPAC name is 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole.

Molecular Properties

Compound Name5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole
PubChem CID86723153
Molecular FormulaC11H11Cl2IN2O
Molecular Weight385.03 g/mol
Exact Mass383.93
IUPAC Name5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole
SMILESClCCOCCn1nc(I)c2cc(Cl)ccc21
InChIInChI=1S/C11H11Cl2IN2O/c12-3-5-17-6-4-16-10-2-1-8(13)7-9(10)11(14)15-16/h1-2,7H,3-6H2
InChIKeyWMZWKGMJTYHRED-UHFFFAOYSA-N
XLogP3.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.03
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole?
The IUPAC name of 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole (CID 86723153) is 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole.
What is the SMILES notation for 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole?
The canonical SMILES for 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole is ClCCOCCn1nc(I)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole?
The InChIKey is WMZWKGMJTYHRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2IN2O/c12-3-5-17-6-4-16-10-2-1-8(13)7-9(10)11(14)15-16/h1-2,7H,3-6H2.
What are the key properties of 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole?
5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole has a molecular weight of 385.03 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole is sourced from PubChem (CID 86723153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).