6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole

C10H8ClFINO — CID 145311637

IUPAC6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole
SMILESCOc1cc(Cl)c(F)c2c1cc(C)n2I
InChIInChI=1S/C10H8ClFINO/c1-5-3-6-8(15-2)4-7(11)9(12)10(6)14(5)13/h3-4H,1-2H3
InChIKeyRJQDQDZDPJQLQE-UHFFFAOYSA-N
MW339.54 g/mol
LogP3.95
Rot. Bonds1

About 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole

6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole (PubChem CID 145311637) has the molecular formula C10H8ClFINO and a molecular weight of 339.54 g/mol. Its IUPAC name is 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole.

Molecular Properties

Compound Name6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole
PubChem CID145311637
Molecular FormulaC10H8ClFINO
Molecular Weight339.54 g/mol
Exact Mass338.93
IUPAC Name6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole
SMILESCOc1cc(Cl)c(F)c2c1cc(C)n2I
InChIInChI=1S/C10H8ClFINO/c1-5-3-6-8(15-2)4-7(11)9(12)10(6)14(5)13/h3-4H,1-2H3
InChIKeyRJQDQDZDPJQLQE-UHFFFAOYSA-N
XLogP3.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.54
LogP ≤ 53.95
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 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole?
The IUPAC name of 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole (CID 145311637) is 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole.
What is the SMILES notation for 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole?
The canonical SMILES for 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole is COc1cc(Cl)c(F)c2c1cc(C)n2I.
What is the InChIKey of 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole?
The InChIKey is RJQDQDZDPJQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFINO/c1-5-3-6-8(15-2)4-7(11)9(12)10(6)14(5)13/h3-4H,1-2H3.
What are the key properties of 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole?
6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole has a molecular weight of 339.54 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-1-iodo-4-methoxy-2-methylindole is sourced from PubChem (CID 145311637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).