6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole

C11H11ClFNO — CID 155122003

IUPAC6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole
SMILESCOc1cc(Cl)c(F)c2c1cc(C)n2C
InChIInChI=1S/C11H11ClFNO/c1-6-4-7-9(15-3)5-8(12)10(13)11(7)14(6)2/h4-5H,1-3H3
InChIKeyXSTMDDMYGAMLDM-UHFFFAOYSA-N
MW227.67 g/mol
LogP3.29
Rot. Bonds1

About 6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole

6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole (PubChem CID 155122003) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole.

Molecular Properties

Compound Name6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole
PubChem CID155122003
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole
SMILESCOc1cc(Cl)c(F)c2c1cc(C)n2C
InChIInChI=1S/C11H11ClFNO/c1-6-4-7-9(15-3)5-8(12)10(13)11(7)14(6)2/h4-5H,1-3H3
InChIKeyXSTMDDMYGAMLDM-UHFFFAOYSA-N
XLogP3.29
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Chloro-8-fluoro-5-methoxyquinoline
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6-Methoxy-1,2-dimethyl-1H-indole
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1-(4-chlorobenzyl)-5-methoxy-2-methyl-1H-indole
CID 21847562
1-(4-Chlorobenzyl)-5-methoxy-2,3-dimethylindole
CID 59738405
4-Methoxy-9-methyl-9h-carbazole
CID 89963581
1-Methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 162409585
1-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-1H-indole
CID 10825849
1-[2-Chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole
CID 15767437
2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine
CID 44192901
2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)-N,N-dimethylethanamine
CID 44192992

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole?
The IUPAC name of 6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole (CID 155122003) is 6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole.
What is the SMILES notation for 6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole?
The canonical SMILES for 6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole is COc1cc(Cl)c(F)c2c1cc(C)n2C.
What is the InChIKey of 6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole?
The InChIKey is XSTMDDMYGAMLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-6-4-7-9(15-3)5-8(12)10(13)11(7)14(6)2/h4-5H,1-3H3.
What are the key properties of 6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole?
6-chloro-7-fluoro-4-methoxy-1,2-dimethylindole has a molecular weight of 227.67 g/mol, XLogP of 3.29, 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-4-methoxy-1,2-dimethylindole is sourced from PubChem (CID 155122003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).