4-chloro-8-iodo-2,3-dimethylquinoline

C11H9ClIN — CID 60996384

IUPAC4-chloro-8-iodo-2,3-dimethylquinoline
SMILESCc1nc2c(I)cccc2c(Cl)c1C
InChIInChI=1S/C11H9ClIN/c1-6-7(2)14-11-8(10(6)12)4-3-5-9(11)13/h3-5H,1-2H3
InChIKeyVYUBNKDYXWFQRO-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.11
Rot. Bonds

About 4-chloro-8-iodo-2,3-dimethylquinoline

4-chloro-8-iodo-2,3-dimethylquinoline (PubChem CID 60996384) has the molecular formula C11H9ClIN and a molecular weight of 317.56 g/mol. Its IUPAC name is 4-chloro-8-iodo-2,3-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-8-iodo-2,3-dimethylquinoline
PubChem CID60996384
Molecular FormulaC11H9ClIN
Molecular Weight317.56 g/mol
Exact Mass316.95
IUPAC Name4-chloro-8-iodo-2,3-dimethylquinoline
SMILESCc1nc2c(I)cccc2c(Cl)c1C
InChIInChI=1S/C11H9ClIN/c1-6-7(2)14-11-8(10(6)12)4-3-5-9(11)13/h3-5H,1-2H3
InChIKeyVYUBNKDYXWFQRO-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.11
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 4-chloro-8-iodo-2,3-dimethylquinoline?
The IUPAC name of 4-chloro-8-iodo-2,3-dimethylquinoline (CID 60996384) is 4-chloro-8-iodo-2,3-dimethylquinoline.
What is the SMILES notation for 4-chloro-8-iodo-2,3-dimethylquinoline?
The canonical SMILES for 4-chloro-8-iodo-2,3-dimethylquinoline is Cc1nc2c(I)cccc2c(Cl)c1C.
What is the InChIKey of 4-chloro-8-iodo-2,3-dimethylquinoline?
The InChIKey is VYUBNKDYXWFQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN/c1-6-7(2)14-11-8(10(6)12)4-3-5-9(11)13/h3-5H,1-2H3.
What are the key properties of 4-chloro-8-iodo-2,3-dimethylquinoline?
4-chloro-8-iodo-2,3-dimethylquinoline has a molecular weight of 317.56 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-iodo-2,3-dimethylquinoline is sourced from PubChem (CID 60996384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).