4-chloro-5-fluoro-1,6-dimethylindole

C10H9ClFN — CID 126583354

IUPAC4-chloro-5-fluoro-1,6-dimethylindole
SMILESCc1cc2c(ccn2C)c(Cl)c1F
InChIInChI=1S/C10H9ClFN/c1-6-5-8-7(3-4-13(8)2)9(11)10(6)12/h3-5H,1-2H3
InChIKeyBQMGWEQPIHIGEE-UHFFFAOYSA-N
MW197.64 g/mol
LogP3.28
Rot. Bonds

About 4-chloro-5-fluoro-1,6-dimethylindole

4-chloro-5-fluoro-1,6-dimethylindole (PubChem CID 126583354) has the molecular formula C10H9ClFN and a molecular weight of 197.64 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1,6-dimethylindole.

Molecular Properties

Compound Name4-chloro-5-fluoro-1,6-dimethylindole
PubChem CID126583354
Molecular FormulaC10H9ClFN
Molecular Weight197.64 g/mol
Exact Mass197.04
IUPAC Name4-chloro-5-fluoro-1,6-dimethylindole
SMILESCc1cc2c(ccn2C)c(Cl)c1F
InChIInChI=1S/C10H9ClFN/c1-6-5-8-7(3-4-13(8)2)9(11)10(6)12/h3-5H,1-2H3
InChIKeyBQMGWEQPIHIGEE-UHFFFAOYSA-N
XLogP3.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1,6-dimethylindole?
The IUPAC name of 4-chloro-5-fluoro-1,6-dimethylindole (CID 126583354) is 4-chloro-5-fluoro-1,6-dimethylindole.
What is the SMILES notation for 4-chloro-5-fluoro-1,6-dimethylindole?
The canonical SMILES for 4-chloro-5-fluoro-1,6-dimethylindole is Cc1cc2c(ccn2C)c(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-1,6-dimethylindole?
The InChIKey is BQMGWEQPIHIGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN/c1-6-5-8-7(3-4-13(8)2)9(11)10(6)12/h3-5H,1-2H3.
What are the key properties of 4-chloro-5-fluoro-1,6-dimethylindole?
4-chloro-5-fluoro-1,6-dimethylindole has a molecular weight of 197.64 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1,6-dimethylindole is sourced from PubChem (CID 126583354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).