8-chloro-3-iodoquinoline

C9H5ClIN — CID 53438635

IUPAC8-chloro-3-iodoquinoline
SMILESClc1cccc2cc(I)cnc12
InChIInChI=1S/C9H5ClIN/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-5H
InChIKeyCLABEFPWOLGBAP-UHFFFAOYSA-N
MW289.50 g/mol
LogP3.49
Rot. Bonds

About 8-chloro-3-iodoquinoline

8-chloro-3-iodoquinoline (PubChem CID 53438635) has the molecular formula C9H5ClIN and a molecular weight of 289.50 g/mol. Its IUPAC name is 8-chloro-3-iodoquinoline.

Molecular Properties

Compound Name8-chloro-3-iodoquinoline
PubChem CID53438635
Molecular FormulaC9H5ClIN
Molecular Weight289.50 g/mol
Exact Mass288.92
IUPAC Name8-chloro-3-iodoquinoline
SMILESClc1cccc2cc(I)cnc12
InChIInChI=1S/C9H5ClIN/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-5H
InChIKeyCLABEFPWOLGBAP-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-iodoquinoline?
The IUPAC name of 8-chloro-3-iodoquinoline (CID 53438635) is 8-chloro-3-iodoquinoline.
What is the SMILES notation for 8-chloro-3-iodoquinoline?
The canonical SMILES for 8-chloro-3-iodoquinoline is Clc1cccc2cc(I)cnc12.
What is the InChIKey of 8-chloro-3-iodoquinoline?
The InChIKey is CLABEFPWOLGBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClIN/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-5H.
What are the key properties of 8-chloro-3-iodoquinoline?
8-chloro-3-iodoquinoline has a molecular weight of 289.50 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-iodoquinoline is sourced from PubChem (CID 53438635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).