6-chloro-1-methylindole

C9H8ClN — CID 15335321

IUPAC6-chloro-1-methylindole
SMILESCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C9H8ClN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3
InChIKeyYDLOPHRVGMIZDX-UHFFFAOYSA-N
MW165.62 g/mol
LogP2.83
Rot. Bonds

About 6-chloro-1-methylindole

6-chloro-1-methylindole (PubChem CID 15335321) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is 6-chloro-1-methylindole.

Molecular Properties

Compound Name6-chloro-1-methylindole
PubChem CID15335321
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name6-chloro-1-methylindole
SMILESCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C9H8ClN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3
InChIKeyYDLOPHRVGMIZDX-UHFFFAOYSA-N
XLogP2.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylindole?
The IUPAC name of 6-chloro-1-methylindole (CID 15335321) is 6-chloro-1-methylindole.
What is the SMILES notation for 6-chloro-1-methylindole?
The canonical SMILES for 6-chloro-1-methylindole is Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methylindole?
The InChIKey is YDLOPHRVGMIZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3.
What are the key properties of 6-chloro-1-methylindole?
6-chloro-1-methylindole has a molecular weight of 165.62 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylindole is sourced from PubChem (CID 15335321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).