5-chloro-7-iodo-8-methoxyquinoline

C10H7ClINO — CID 629222

IUPAC5-chloro-7-iodo-8-methoxyquinoline
SMILESCOc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C10H7ClINO/c1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10/h2-5H,1H3
InChIKeyYODYZPGSHFTXFY-UHFFFAOYSA-N
MW319.53 g/mol
LogP3.50
Rot. Bonds1

About 5-chloro-7-iodo-8-methoxyquinoline

5-chloro-7-iodo-8-methoxyquinoline (PubChem CID 629222) has the molecular formula C10H7ClINO and a molecular weight of 319.53 g/mol. Its IUPAC name is 5-chloro-7-iodo-8-methoxyquinoline.

Molecular Properties

Compound Name5-chloro-7-iodo-8-methoxyquinoline
PubChem CID629222
Molecular FormulaC10H7ClINO
Molecular Weight319.53 g/mol
Exact Mass318.93
IUPAC Name5-chloro-7-iodo-8-methoxyquinoline
SMILESCOc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C10H7ClINO/c1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10/h2-5H,1H3
InChIKeyYODYZPGSHFTXFY-UHFFFAOYSA-N
XLogP3.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-iodo-8-methoxyquinoline?
The IUPAC name of 5-chloro-7-iodo-8-methoxyquinoline (CID 629222) is 5-chloro-7-iodo-8-methoxyquinoline.
What is the SMILES notation for 5-chloro-7-iodo-8-methoxyquinoline?
The canonical SMILES for 5-chloro-7-iodo-8-methoxyquinoline is COc1c(I)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-iodo-8-methoxyquinoline?
The InChIKey is YODYZPGSHFTXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClINO/c1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10/h2-5H,1H3.
What are the key properties of 5-chloro-7-iodo-8-methoxyquinoline?
5-chloro-7-iodo-8-methoxyquinoline has a molecular weight of 319.53 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-iodo-8-methoxyquinoline is sourced from PubChem (CID 629222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).