6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde

C12H10F3NO2 — CID 84636449

IUPAC6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde
SMILESCOc1ccc2c(C=O)c(C(F)(F)F)n(C)c2c1
InChIInChI=1S/C12H10F3NO2/c1-16-10-5-7(18-2)3-4-8(10)9(6-17)11(16)12(13,14)15/h3-6H,1-2H3
InChIKeyCDBQOZCTFGLPAU-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.02
Rot. Bonds2

About 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde

6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde (PubChem CID 84636449) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde
PubChem CID84636449
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde
SMILESCOc1ccc2c(C=O)c(C(F)(F)F)n(C)c2c1
InChIInChI=1S/C12H10F3NO2/c1-16-10-5-7(18-2)3-4-8(10)9(6-17)11(16)12(13,14)15/h3-6H,1-2H3
InChIKeyCDBQOZCTFGLPAU-UHFFFAOYSA-N
XLogP3.02
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
1-(3,3-dimethyl-2-oxobutyl)-6-methoxy-2-methylindole-3-carbaldehyde
CID 142842718
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide
CID 143185583
(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82497828
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
CID 139932303
3-acetyl-6-methoxy-1-methylindole-2-carboxylic acid
CID 84632711
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
3-formyl-6-methoxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 50742419
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde?
The IUPAC name of 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde (CID 84636449) is 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde?
The canonical SMILES for 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde is COc1ccc2c(C=O)c(C(F)(F)F)n(C)c2c1.
What is the InChIKey of 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde?
The InChIKey is CDBQOZCTFGLPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-16-10-5-7(18-2)3-4-8(10)9(6-17)11(16)12(13,14)15/h3-6H,1-2H3.
What are the key properties of 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde?
6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde has a molecular weight of 257.21 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde is sourced from PubChem (CID 84636449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).