5,7-dichloro-1-iodo-2-methylindole

C9H6Cl2IN — CID 145311702

IUPAC5,7-dichloro-1-iodo-2-methylindole
SMILESCc1cc2cc(Cl)cc(Cl)c2n1I
InChIInChI=1S/C9H6Cl2IN/c1-5-2-6-3-7(10)4-8(11)9(6)13(5)12/h2-4H,1H3
InChIKeyXHQHGDUHTLDJEF-UHFFFAOYSA-N
MW325.96 g/mol
LogP4.45
Rot. Bonds

About 5,7-dichloro-1-iodo-2-methylindole

5,7-dichloro-1-iodo-2-methylindole (PubChem CID 145311702) has the molecular formula C9H6Cl2IN and a molecular weight of 325.96 g/mol. Its IUPAC name is 5,7-dichloro-1-iodo-2-methylindole.

Molecular Properties

Compound Name5,7-dichloro-1-iodo-2-methylindole
PubChem CID145311702
Molecular FormulaC9H6Cl2IN
Molecular Weight325.96 g/mol
Exact Mass324.89
IUPAC Name5,7-dichloro-1-iodo-2-methylindole
SMILESCc1cc2cc(Cl)cc(Cl)c2n1I
InChIInChI=1S/C9H6Cl2IN/c1-5-2-6-3-7(10)4-8(11)9(6)13(5)12/h2-4H,1H3
InChIKeyXHQHGDUHTLDJEF-UHFFFAOYSA-N
XLogP4.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.96
LogP ≤ 54.45
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 5,7-dichloro-1-iodo-2-methylindole?
The IUPAC name of 5,7-dichloro-1-iodo-2-methylindole (CID 145311702) is 5,7-dichloro-1-iodo-2-methylindole.
What is the SMILES notation for 5,7-dichloro-1-iodo-2-methylindole?
The canonical SMILES for 5,7-dichloro-1-iodo-2-methylindole is Cc1cc2cc(Cl)cc(Cl)c2n1I.
What is the InChIKey of 5,7-dichloro-1-iodo-2-methylindole?
The InChIKey is XHQHGDUHTLDJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2IN/c1-5-2-6-3-7(10)4-8(11)9(6)13(5)12/h2-4H,1H3.
What are the key properties of 5,7-dichloro-1-iodo-2-methylindole?
5,7-dichloro-1-iodo-2-methylindole has a molecular weight of 325.96 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-iodo-2-methylindole is sourced from PubChem (CID 145311702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).