2,6,7-trichloro-1-ethylindole-3-carbaldehyde

C11H8Cl3NO — CID 82269486

IUPAC2,6,7-trichloro-1-ethylindole-3-carbaldehyde
SMILESCCn1c(Cl)c(C=O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C11H8Cl3NO/c1-2-15-10-6(7(5-16)11(15)14)3-4-8(12)9(10)13/h3-5H,2H2,1H3
InChIKeyAKFRTVLEYKBAON-UHFFFAOYSA-N
MW276.55 g/mol
LogP4.43
Rot. Bonds2

About 2,6,7-trichloro-1-ethylindole-3-carbaldehyde

2,6,7-trichloro-1-ethylindole-3-carbaldehyde (PubChem CID 82269486) has the molecular formula C11H8Cl3NO and a molecular weight of 276.55 g/mol. Its IUPAC name is 2,6,7-trichloro-1-ethylindole-3-carbaldehyde.

Molecular Properties

Compound Name2,6,7-trichloro-1-ethylindole-3-carbaldehyde
PubChem CID82269486
Molecular FormulaC11H8Cl3NO
Molecular Weight276.55 g/mol
Exact Mass274.97
IUPAC Name2,6,7-trichloro-1-ethylindole-3-carbaldehyde
SMILESCCn1c(Cl)c(C=O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C11H8Cl3NO/c1-2-15-10-6(7(5-16)11(15)14)3-4-8(12)9(10)13/h3-5H,2H2,1H3
InChIKeyAKFRTVLEYKBAON-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2,6-dichloroindole-3-carbaldehyde
CID 82269726
2-chloro-1-ethyl-5-propan-2-ylindole-3-carbaldehyde
CID 82268593
1-benzyl-2,7-dichloroindole-3-carbaldehyde
CID 82269368
2,6-dichloro-3-ethylbenzaldehyde
CID 86691282
2,5,6-trichloro-1-(2-methylpropyl)indole-3-carbaldehyde
CID 82269567
6,7-dichloro-1-ethyl-2-methylbenzimidazole
CID 154116505
1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid
CID 83947324
1-benzyl-2-chloro-7-fluoroindole-3-carbaldehyde
CID 82269294
(E)-3-(2-chloro-1-ethyl-7-fluoroindol-3-yl)-2-methylprop-2-enoic acid
CID 82269262
4-chloro-1-ethyl-2-methyl-5-phenylpyrrole-3-carbaldehyde
CID 91672452
2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
CID 82269315
2-chloronaphthalene-1-carbaldehyde
CID 19065818

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trichloro-1-ethylindole-3-carbaldehyde?
The IUPAC name of 2,6,7-trichloro-1-ethylindole-3-carbaldehyde (CID 82269486) is 2,6,7-trichloro-1-ethylindole-3-carbaldehyde.
What is the SMILES notation for 2,6,7-trichloro-1-ethylindole-3-carbaldehyde?
The canonical SMILES for 2,6,7-trichloro-1-ethylindole-3-carbaldehyde is CCn1c(Cl)c(C=O)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of 2,6,7-trichloro-1-ethylindole-3-carbaldehyde?
The InChIKey is AKFRTVLEYKBAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NO/c1-2-15-10-6(7(5-16)11(15)14)3-4-8(12)9(10)13/h3-5H,2H2,1H3.
What are the key properties of 2,6,7-trichloro-1-ethylindole-3-carbaldehyde?
2,6,7-trichloro-1-ethylindole-3-carbaldehyde has a molecular weight of 276.55 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trichloro-1-ethylindole-3-carbaldehyde is sourced from PubChem (CID 82269486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).