5,7-dichloro-1,2-dimethylindole

C10H9Cl2N — CID 155122072

IUPAC5,7-dichloro-1,2-dimethylindole
SMILESCc1cc2cc(Cl)cc(Cl)c2n1C
InChIInChI=1S/C10H9Cl2N/c1-6-3-7-4-8(11)5-9(12)10(7)13(6)2/h3-5H,1-2H3
InChIKeyFXOHZSBTTOEGKF-UHFFFAOYSA-N
MW214.09 g/mol
LogP3.79
Rot. Bonds

About 5,7-dichloro-1,2-dimethylindole

5,7-dichloro-1,2-dimethylindole (PubChem CID 155122072) has the molecular formula C10H9Cl2N and a molecular weight of 214.09 g/mol. Its IUPAC name is 5,7-dichloro-1,2-dimethylindole.

Molecular Properties

Compound Name5,7-dichloro-1,2-dimethylindole
PubChem CID155122072
Molecular FormulaC10H9Cl2N
Molecular Weight214.09 g/mol
Exact Mass213.01
IUPAC Name5,7-dichloro-1,2-dimethylindole
SMILESCc1cc2cc(Cl)cc(Cl)c2n1C
InChIInChI=1S/C10H9Cl2N/c1-6-3-7-4-8(11)5-9(12)10(7)13(6)2/h3-5H,1-2H3
InChIKeyFXOHZSBTTOEGKF-UHFFFAOYSA-N
XLogP3.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1,2-dimethylindole?
The IUPAC name of 5,7-dichloro-1,2-dimethylindole (CID 155122072) is 5,7-dichloro-1,2-dimethylindole.
What is the SMILES notation for 5,7-dichloro-1,2-dimethylindole?
The canonical SMILES for 5,7-dichloro-1,2-dimethylindole is Cc1cc2cc(Cl)cc(Cl)c2n1C.
What is the InChIKey of 5,7-dichloro-1,2-dimethylindole?
The InChIKey is FXOHZSBTTOEGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N/c1-6-3-7-4-8(11)5-9(12)10(7)13(6)2/h3-5H,1-2H3.
What are the key properties of 5,7-dichloro-1,2-dimethylindole?
5,7-dichloro-1,2-dimethylindole has a molecular weight of 214.09 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1,2-dimethylindole is sourced from PubChem (CID 155122072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).