2-chloro-1,3,7-trimethylindole

C11H12ClN — CID 117127854

IUPAC2-chloro-1,3,7-trimethylindole
SMILESCc1c(Cl)n(C)c2c(C)cccc12
InChIInChI=1S/C11H12ClN/c1-7-5-4-6-9-8(2)11(12)13(3)10(7)9/h4-6H,1-3H3
InChIKeyOVAOAGSZGJUKCH-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.45
Rot. Bonds

About 2-chloro-1,3,7-trimethylindole

2-chloro-1,3,7-trimethylindole (PubChem CID 117127854) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-chloro-1,3,7-trimethylindole.

Molecular Properties

Compound Name2-chloro-1,3,7-trimethylindole
PubChem CID117127854
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name2-chloro-1,3,7-trimethylindole
SMILESCc1c(Cl)n(C)c2c(C)cccc12
InChIInChI=1S/C11H12ClN/c1-7-5-4-6-9-8(2)11(12)13(3)10(7)9/h4-6H,1-3H3
InChIKeyOVAOAGSZGJUKCH-UHFFFAOYSA-N
XLogP3.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,10-trimethylphenanthridin-6-one
CID 132522082
2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol
CID 83859878
1,3,7-trimethyl-2-piperidin-4-ylindole
CID 84630479
N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
CID 84626383
2-(2,3,7-trimethylindol-1-yl)ethanamine
CID 82491683
1,8,9-trimethylpyrido[3,4-b]indole
CID 139321936
1,3,8-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 165484673
[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol
CID 82268659
1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol
CID 82268661
8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one
CID 115027878
1,5-dimethylnaphthalene
CID 162159355
2-chloro-7-methyl-1-propylindole-3-carbonitrile
CID 82268652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,7-trimethylindole?
The IUPAC name of 2-chloro-1,3,7-trimethylindole (CID 117127854) is 2-chloro-1,3,7-trimethylindole.
What is the SMILES notation for 2-chloro-1,3,7-trimethylindole?
The canonical SMILES for 2-chloro-1,3,7-trimethylindole is Cc1c(Cl)n(C)c2c(C)cccc12.
What is the InChIKey of 2-chloro-1,3,7-trimethylindole?
The InChIKey is OVAOAGSZGJUKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-7-5-4-6-9-8(2)11(12)13(3)10(7)9/h4-6H,1-3H3.
What are the key properties of 2-chloro-1,3,7-trimethylindole?
2-chloro-1,3,7-trimethylindole has a molecular weight of 193.68 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,7-trimethylindole is sourced from PubChem (CID 117127854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).