2,5,6-trichloro-1H-indole-3-carbaldehyde

C9H4Cl3NO — CID 11345666

IUPAC2,5,6-trichloro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C9H4Cl3NO/c10-6-1-4-5(3-14)9(12)13-8(4)2-7(6)11/h1-3,13H
InChIKeyJHNMIGWYZMQLOQ-UHFFFAOYSA-N
MW248.50 g/mol
LogP3.94
Rot. Bonds1

About 2,5,6-trichloro-1H-indole-3-carbaldehyde

2,5,6-trichloro-1H-indole-3-carbaldehyde (PubChem CID 11345666) has the molecular formula C9H4Cl3NO and a molecular weight of 248.50 g/mol. Its IUPAC name is 2,5,6-trichloro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2,5,6-trichloro-1H-indole-3-carbaldehyde
PubChem CID11345666
Molecular FormulaC9H4Cl3NO
Molecular Weight248.50 g/mol
Exact Mass246.94
IUPAC Name2,5,6-trichloro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C9H4Cl3NO/c10-6-1-4-5(3-14)9(12)13-8(4)2-7(6)11/h1-3,13H
InChIKeyJHNMIGWYZMQLOQ-UHFFFAOYSA-N
XLogP3.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-1H-indole-3-carbaldehyde?
The IUPAC name of 2,5,6-trichloro-1H-indole-3-carbaldehyde (CID 11345666) is 2,5,6-trichloro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2,5,6-trichloro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2,5,6-trichloro-1H-indole-3-carbaldehyde is O=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12.
What is the InChIKey of 2,5,6-trichloro-1H-indole-3-carbaldehyde?
The InChIKey is JHNMIGWYZMQLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3NO/c10-6-1-4-5(3-14)9(12)13-8(4)2-7(6)11/h1-3,13H.
What are the key properties of 2,5,6-trichloro-1H-indole-3-carbaldehyde?
2,5,6-trichloro-1H-indole-3-carbaldehyde has a molecular weight of 248.50 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 11345666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).