7-bromo-1,2,3-trimethylindole-4-carbaldehyde

C12H12BrNO — CID 82379810

IUPAC7-bromo-1,2,3-trimethylindole-4-carbaldehyde
SMILESCc1c(C)n(C)c2c(Br)ccc(C=O)c12
InChIInChI=1S/C12H12BrNO/c1-7-8(2)14(3)12-10(13)5-4-9(6-15)11(7)12/h4-6H,1-3H3
InChIKeyXLIFYJBMAQMPLK-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.37
Rot. Bonds1

About 7-bromo-1,2,3-trimethylindole-4-carbaldehyde

7-bromo-1,2,3-trimethylindole-4-carbaldehyde (PubChem CID 82379810) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 7-bromo-1,2,3-trimethylindole-4-carbaldehyde.

Molecular Properties

Compound Name7-bromo-1,2,3-trimethylindole-4-carbaldehyde
PubChem CID82379810
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name7-bromo-1,2,3-trimethylindole-4-carbaldehyde
SMILESCc1c(C)n(C)c2c(Br)ccc(C=O)c12
InChIInChI=1S/C12H12BrNO/c1-7-8(2)14(3)12-10(13)5-4-9(6-15)11(7)12/h4-6H,1-3H3
InChIKeyXLIFYJBMAQMPLK-UHFFFAOYSA-N
XLogP3.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3-trimethylindole-4-carbaldehyde?
The IUPAC name of 7-bromo-1,2,3-trimethylindole-4-carbaldehyde (CID 82379810) is 7-bromo-1,2,3-trimethylindole-4-carbaldehyde.
What is the SMILES notation for 7-bromo-1,2,3-trimethylindole-4-carbaldehyde?
The canonical SMILES for 7-bromo-1,2,3-trimethylindole-4-carbaldehyde is Cc1c(C)n(C)c2c(Br)ccc(C=O)c12.
What is the InChIKey of 7-bromo-1,2,3-trimethylindole-4-carbaldehyde?
The InChIKey is XLIFYJBMAQMPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-7-8(2)14(3)12-10(13)5-4-9(6-15)11(7)12/h4-6H,1-3H3.
What are the key properties of 7-bromo-1,2,3-trimethylindole-4-carbaldehyde?
7-bromo-1,2,3-trimethylindole-4-carbaldehyde has a molecular weight of 266.14 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3-trimethylindole-4-carbaldehyde is sourced from PubChem (CID 82379810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).