6-chloro-5-methoxy-1H-indole

C9H8ClNO — CID 13113493

IUPAC6-chloro-5-methoxy-1H-indole
SMILESCOc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C9H8ClNO/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h2-5,11H,1H3
InChIKeySSBPRGFEADRKDA-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.83
Rot. Bonds1

About 6-chloro-5-methoxy-1H-indole

6-chloro-5-methoxy-1H-indole (PubChem CID 13113493) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 6-chloro-5-methoxy-1H-indole.

Molecular Properties

Compound Name6-chloro-5-methoxy-1H-indole
PubChem CID13113493
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name6-chloro-5-methoxy-1H-indole
SMILESCOc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C9H8ClNO/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h2-5,11H,1H3
InChIKeySSBPRGFEADRKDA-UHFFFAOYSA-N
XLogP2.83
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-1H-indole?
The IUPAC name of 6-chloro-5-methoxy-1H-indole (CID 13113493) is 6-chloro-5-methoxy-1H-indole.
What is the SMILES notation for 6-chloro-5-methoxy-1H-indole?
The canonical SMILES for 6-chloro-5-methoxy-1H-indole is COc1cc2cc[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-1H-indole?
The InChIKey is SSBPRGFEADRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h2-5,11H,1H3.
What are the key properties of 6-chloro-5-methoxy-1H-indole?
6-chloro-5-methoxy-1H-indole has a molecular weight of 181.62 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-1H-indole is sourced from PubChem (CID 13113493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).